N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-pyrazin-2-ylpiperazine-1-carbothioamide

C123H138N26OS6 — CID 159786102

About N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-pyrazin-2-ylpiperazine-1-carbothioamide

N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-pyrazin-2-ylpiperazine-1-carbothioamide (PubChem CID 159786102) has the molecular formula C123H138N26OS6 and a molecular weight of 2189.04 g/mol. Its IUPAC name is N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-pyrazin-2-ylpiperazine-1-carbothioamide.

Molecular Properties

• Compound Name: N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-pyrazin-2-ylpiperazine-1-carbothioamide
• PubChem CID: 159786102
• Molecular Formula: C123H138N26OS6
• Molecular Weight: 2189.04 g/mol
• Exact Mass: 2186.99
• IUPAC Name: N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-pyrazin-2-ylpiperazine-1-carbothioamide
• SMILES: C=Cc1ccc(N2CCN(C(=S)N/C=C3/CNc4ccccc43)CC2)cc1.CC1CN(C(=S)N/C=C2/CNc3ccccc32)CCN1c1ccccc1.CC1CN(c2ccccc2)CCN1C(=S)N/C=C1/CNc2ccccc21.Cc1ccc(N2CCN(C(=S)N/C=C3/CNc4ccccc43)CC2)cc1.Oc1cccc(N2CCN(C(=S)N/C=C3/CNc4ccccc43)CC2)c1.S=C(N/C=C1/CNc2ccccc21)N1CCN(c2cnccn2)CC1
• InChI: InChI=1S/C22H24N4S.3C21H24N4S.C20H22N4OS.C18H20N6S/c1-2-17-7-9-19(10-8-17)25-11-13-26(14-12-25)22(27)24-16-18-15-23-21-6-4-3-5-20(18)21;1-16-15-24(11-12-25(16)18-7-3-2-4-8-18)21(26)23-14-17-13-22-20-10-6-5-9-19(17)20;1-16-15-24(18-7-3-2-4-8-18)11-12-25(16)21(26)23-14-17-13-22-20-10-6-5-9-19(17)20;1-16-6-8-18(9-7-16)24-10-12-25(13-11-24)21(26)23-15-17-14-22-20-5-3-2-4-19(17)20;25-17-5-3-4-16(12-17)23-8-10-24(11-9-23)20(26)22-14-15-13-21-19-7-2-1-6-18(15)19;25-18(22-12-14-11-21-16-4-2-1-3-15(14)16)24-9-7-23(8-10-24)17-13-19-5-6-20-17/h2-10,16,23H,1,11-15H2,(H,24,27);2*2-10,14,16,22H,11-13,15H2,1H3,(H,23,26);2-9,15,22H,10-14H2,1H3,(H,23,26);1-7,12,14,21,25H,8-11,13H2,(H,22,26);1-6,12-13,21H,7-11H2,(H,22,25)/b18-16-;2*17-14-;17-15-;15-14-;14-12-
• InChIKey: NHYUAPGJYGAZPP-RKTRDVJMSA-N
• XLogP: 19.12
• TPSA: 229.25 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2189.04
LogP ≤ 5	19.12
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-pyrazin-2-ylpiperazine-1-carbothioamide?

The IUPAC name of N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-pyrazin-2-ylpiperazine-1-carbothioamide (CID 159786102) is N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-pyrazin-2-ylpiperazine-1-carbothioamide.

What is the SMILES notation for N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-pyrazin-2-ylpiperazine-1-carbothioamide?

The canonical SMILES for N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-pyrazin-2-ylpiperazine-1-carbothioamide is C=Cc1ccc(N2CCN(C(=S)N/C=C3/CNc4ccccc43)CC2)cc1.CC1CN(C(=S)N/C=C2/CNc3ccccc32)CCN1c1ccccc1.CC1CN(c2ccccc2)CCN1C(=S)N/C=C1/CNc2ccccc21.Cc1ccc(N2CCN(C(=S)N/C=C3/CNc4ccccc43)CC2)cc1.Oc1cccc(N2CCN(C(=S)N/C=C3/CNc4ccccc43)CC2)c1.S=C(N/C=C1/CNc2ccccc21)N1CCN(c2cnccn2)CC1.

What is the InChIKey of N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-pyrazin-2-ylpiperazine-1-carbothioamide?

The InChIKey is NHYUAPGJYGAZPP-RKTRDVJMSA-N. The full InChI is InChI=1S/C22H24N4S.3C21H24N4S.C20H22N4OS.C18H20N6S/c1-2-17-7-9-19(10-8-17)25-11-13-26(14-12-25)22(27)24-16-18-15-23-21-6-4-3-5-20(18)21;1-16-15-24(11-12-25(16)18-7-3-2-4-8-18)21(26)23-14-17-13-22-20-10-6-5-9-19(17)20;1-16-15-24(18-7-3-2-4-8-18)11-12-25(16)21(26)23-14-17-13-22-20-10-6-5-9-19(17)20;1-16-6-8-18(9-7-16)24-10-12-25(13-11-24)21(26)23-15-17-14-22-20-5-3-2-4-19(17)20;25-17-5-3-4-16(12-17)23-8-10-24(11-9-23)20(26)22-14-15-13-21-19-7-2-1-6-18(15)19;25-18(22-12-14-11-21-16-4-2-1-3-15(14)16)24-9-7-23(8-10-24)17-13-19-5-6-20-17/h2-10,16,23H,1,11-15H2,(H,24,27);2*2-10,14,16,22H,11-13,15H2,1H3,(H,23,26);2-9,15,22H,10-14H2,1H3,(H,23,26);1-7,12,14,21,25H,8-11,13H2,(H,22,26);1-6,12-13,21H,7-11H2,(H,22,25)/b18-16-;2*17-14-;17-15-;15-14-;14-12-.

What are the key properties of N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-pyrazin-2-ylpiperazine-1-carbothioamide?

N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-pyrazin-2-ylpiperazine-1-carbothioamide has a molecular weight of 2189.04 g/mol, XLogP of 19.12, 13 rotatable bonds, 13 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-ethenylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-2-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-4-phenylpiperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-(4-methylphenyl)piperazine-1-carbothioamide;N-[(E)-1,2-dihydroindol-3-ylidenemethyl]-4-pyrazin-2-ylpiperazine-1-carbothioamide is sourced from PubChem (CID 159786102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).