bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanethione);4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]benzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-[4-(4-methylphenyl)piperazin-1-yl]propane-1-thione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione

C167H222Cl2N22O9S6 — CID 159832947

About bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanethione);4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]benzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-[4-(4-methylphenyl)piperazin-1-yl]propane-1-thione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione

bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanethione);4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]benzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-[4-(4-methylphenyl)piperazin-1-yl]propane-1-thione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione (PubChem CID 159832947) has the molecular formula C167H222Cl2N22O9S6 and a molecular weight of 2945.07 g/mol. Its IUPAC name is bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanethione);4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]benzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-[4-(4-methylphenyl)piperazin-1-yl]propane-1-thione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione.

Molecular Properties

• Compound Name: bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanethione);4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]benzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-[4-(4-methylphenyl)piperazin-1-yl]propane-1-thione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione
• PubChem CID: 159832947
• Molecular Formula: C167H222Cl2N22O9S6
• Molecular Weight: 2945.07 g/mol
• Exact Mass: 2941.53
• IUPAC Name: bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanethione);4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]benzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-[4-(4-methylphenyl)piperazin-1-yl]propane-1-thione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione
• SMILES: Cc1cc(NC2CCC(OCC(=S)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1C#N.Cc1cc(NC2CCC(OCC(=S)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=S)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=S)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(N2CCN(C(=S)CCC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=S)COC3CCC(Nc4ccc(C#N)c(C)c4)CC3)CC2)cc1
• InChI: InChI=1S/C30H40N4OS.2C29H40ClN3OS.C27H36N4O2S.C27H34N4OS.C25H32N4O3S/c1-22-19-26(8-5-23(22)20-31)32-25-9-13-28(14-10-25)35-21-29(36)34-17-15-33(16-18-34)27-11-6-24(7-12-27)30(2,3)4;2*1-21-19-24(9-14-27(21)30)31-23-7-12-26(13-8-23)34-20-28(35)33-17-15-32(16-18-33)25-10-5-22(6-11-25)29(2,3)4;1-20-3-11-25(12-4-20)29-15-17-30(18-16-29)27(34)14-7-22-5-8-23(9-6-22)28-24-10-13-26(31(32)33)21(2)19-24;1-20-3-9-25(10-4-20)30-13-15-31(16-14-30)27(33)19-32-26-11-7-23(8-12-26)29-24-6-5-22(18-28)21(2)17-24;1-19-17-21(9-12-24(19)29(30)31)26-20-7-10-23(11-8-20)32-18-25(33)28-15-13-27(14-16-28)22-5-3-2-4-6-22/h5-8,11-12,19,25,28,32H,9-10,13-18,21H2,1-4H3;2*5-6,9-11,14,19,23,26,31H,7-8,12-13,15-18,20H2,1-4H3;3-4,10-13,19,22-23,28H,5-9,14-18H2,1-2H3;3-6,9-10,17,23,26,29H,7-8,11-16,19H2,1-2H3;2-6,9,12,17,20,23,26H,7-8,10-11,13-16,18H2,1H3
• InChIKey: NNRQMUPZVMWBRP-UHFFFAOYSA-N
• XLogP: 35.69
• TPSA: 291.07 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 38
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2945.07
LogP ≤ 5	35.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanethione);4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]benzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-[4-(4-methylphenyl)piperazin-1-yl]propane-1-thione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione?

The IUPAC name of bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanethione);4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]benzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-[4-(4-methylphenyl)piperazin-1-yl]propane-1-thione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione (CID 159832947) is bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanethione);4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]benzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-[4-(4-methylphenyl)piperazin-1-yl]propane-1-thione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione.

What is the SMILES notation for bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanethione);4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]benzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-[4-(4-methylphenyl)piperazin-1-yl]propane-1-thione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione?

The canonical SMILES for bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanethione);4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]benzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-[4-(4-methylphenyl)piperazin-1-yl]propane-1-thione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione is Cc1cc(NC2CCC(OCC(=S)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1C#N.Cc1cc(NC2CCC(OCC(=S)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=S)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1Cl.Cc1cc(NC2CCC(OCC(=S)N3CCN(c4ccccc4)CC3)CC2)ccc1[N+](=O)[O-].Cc1ccc(N2CCN(C(=S)CCC3CCC(Nc4ccc([N+](=O)[O-])c(C)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=S)COC3CCC(Nc4ccc(C#N)c(C)c4)CC3)CC2)cc1.

What is the InChIKey of bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanethione);4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]benzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-[4-(4-methylphenyl)piperazin-1-yl]propane-1-thione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione?

The InChIKey is NNRQMUPZVMWBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4OS.2C29H40ClN3OS.C27H36N4O2S.C27H34N4OS.C25H32N4O3S/c1-22-19-26(8-5-23(22)20-31)32-25-9-13-28(14-10-25)35-21-29(36)34-17-15-33(16-18-34)27-11-6-24(7-12-27)30(2,3)4;2*1-21-19-24(9-14-27(21)30)31-23-7-12-26(13-8-23)34-20-28(35)33-17-15-32(16-18-33)25-10-5-22(6-11-25)29(2,3)4;1-20-3-11-25(12-4-20)29-15-17-30(18-16-29)27(34)14-7-22-5-8-23(9-6-22)28-24-10-13-26(31(32)33)21(2)19-24;1-20-3-9-25(10-4-20)30-13-15-31(16-14-30)27(33)19-32-26-11-7-23(8-12-26)29-24-6-5-22(18-28)21(2)17-24;1-19-17-21(9-12-24(19)29(30)31)26-20-7-10-23(11-8-20)32-18-25(33)28-15-13-27(14-16-28)22-5-3-2-4-6-22/h5-8,11-12,19,25,28,32H,9-10,13-18,21H2,1-4H3;2*5-6,9-11,14,19,23,26,31H,7-8,12-13,15-18,20H2,1-4H3;3-4,10-13,19,22-23,28H,5-9,14-18H2,1-2H3;3-6,9-10,17,23,26,29H,7-8,11-16,19H2,1-2H3;2-6,9,12,17,20,23,26H,7-8,10-11,13-16,18H2,1H3.

What are the key properties of bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanethione);4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]benzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-[4-(4-methylphenyl)piperazin-1-yl]propane-1-thione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione?

bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanethione);4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]benzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-[4-(4-methylphenyl)piperazin-1-yl]propane-1-thione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione has a molecular weight of 2945.07 g/mol, XLogP of 35.69, 38 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanethione);4-[[4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]-2-methylbenzonitrile;2-methyl-4-[[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-sulfanylideneethoxy]cyclohexyl]amino]benzonitrile;3-[4-(3-methyl-4-nitroanilino)cyclohexyl]-1-[4-(4-methylphenyl)piperazin-1-yl]propane-1-thione;2-[4-(3-methyl-4-nitroanilino)cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione is sourced from PubChem (CID 159832947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).