6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-8-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;7-chloro-N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;8-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide

C96H103Cl9N10O6S5 — CID 159458933

About 6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-8-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;7-chloro-N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;8-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide

6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-8-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;7-chloro-N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;8-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide (PubChem CID 159458933) has the molecular formula C96H103Cl9N10O6S5 and a molecular weight of 1972.36 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-8-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;7-chloro-N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;8-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide.

Molecular Properties

• Compound Name: 6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-8-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;7-chloro-N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;8-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide
• PubChem CID: 159458933
• Molecular Formula: C96H103Cl9N10O6S5
• Molecular Weight: 1972.36 g/mol
• Exact Mass: 1966.39
• IUPAC Name: 6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-8-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;7-chloro-N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;8-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide
• SMILES: COc1cc2c(c(Cl)c1O)CCCN(C(=S)NCCc1ccc(Cl)cc1)C2.Oc1cc2c(cc1Cl)CCN(C(=S)NCCc1ccc(Cl)cc1)CC2.Oc1cc2c(cc1Cl)CN(C(=S)NCCc1ccc(Cl)cc1)CCC2.Oc1ccc2c(c1)CCN(C(=S)NCCc1ccc(Cl)cc1)CC2.Oc1ccc2c(c1Cl)CCN(C(=S)NCCc1ccc(Cl)cc1)CC2
• InChI: InChI=1S/C20H22Cl2N2O2S.3C19H20Cl2N2OS.C19H21ClN2OS/c1-26-17-11-14-12-24(10-2-3-16(14)18(22)19(17)25)20(27)23-9-8-13-4-6-15(21)7-5-13;20-15-4-1-13(2-5-15)7-10-22-19(25)23-11-8-14-3-6-17(24)18(21)16(14)9-12-23;20-16-3-1-13(2-4-16)5-8-22-19(25)23-9-6-14-11-17(21)18(24)12-15(14)7-10-23;20-16-5-3-13(4-6-16)7-8-22-19(25)23-9-1-2-14-11-18(24)17(21)10-15(14)12-23;20-17-4-1-14(2-5-17)7-10-21-19(24)22-11-8-15-3-6-18(23)13-16(15)9-12-22/h4-7,11,25H,2-3,8-10,12H2,1H3,(H,23,27);1-6,24H,7-12H2,(H,22,25);1-4,11-12,24H,5-10H2,(H,22,25);3-6,10-11,24H,1-2,7-9,12H2,(H,22,25);1-6,13,23H,7-12H2,(H,21,24)
• InChIKey: LUILKCCELDNSCQ-UHFFFAOYSA-N
• XLogP: 21.13
• TPSA: 186.73 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1972.36
LogP ≤ 5	21.13
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-8-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;7-chloro-N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;8-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide?

The IUPAC name of 6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-8-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;7-chloro-N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;8-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide (CID 159458933) is 6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-8-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;7-chloro-N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;8-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide.

What is the SMILES notation for 6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-8-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;7-chloro-N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;8-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide?

The canonical SMILES for 6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-8-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;7-chloro-N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;8-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide is COc1cc2c(c(Cl)c1O)CCCN(C(=S)NCCc1ccc(Cl)cc1)C2.Oc1cc2c(cc1Cl)CCN(C(=S)NCCc1ccc(Cl)cc1)CC2.Oc1cc2c(cc1Cl)CN(C(=S)NCCc1ccc(Cl)cc1)CCC2.Oc1ccc2c(c1)CCN(C(=S)NCCc1ccc(Cl)cc1)CC2.Oc1ccc2c(c1Cl)CCN(C(=S)NCCc1ccc(Cl)cc1)CC2.

What is the InChIKey of 6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-8-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;7-chloro-N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;8-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide?

The InChIKey is LUILKCCELDNSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2S.3C19H20Cl2N2OS.C19H21ClN2OS/c1-26-17-11-14-12-24(10-2-3-16(14)18(22)19(17)25)20(27)23-9-8-13-4-6-15(21)7-5-13;20-15-4-1-13(2-5-15)7-10-22-19(25)23-11-8-14-3-6-17(24)18(21)16(14)9-12-23;20-16-3-1-13(2-4-16)5-8-22-19(25)23-9-6-14-11-17(21)18(24)12-15(14)7-10-23;20-16-5-3-13(4-6-16)7-8-22-19(25)23-9-1-2-14-11-18(24)17(21)10-15(14)12-23;20-17-4-1-14(2-5-17)7-10-21-19(24)22-11-8-15-3-6-18(23)13-16(15)9-12-22/h4-7,11,25H,2-3,8-10,12H2,1H3,(H,23,27);1-6,24H,7-12H2,(H,22,25);1-4,11-12,24H,5-10H2,(H,22,25);3-6,10-11,24H,1-2,7-9,12H2,(H,22,25);1-6,13,23H,7-12H2,(H,21,24).

What are the key properties of 6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-8-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;7-chloro-N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;8-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide?

6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-8-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;7-chloro-N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;8-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide has a molecular weight of 1972.36 g/mol, XLogP of 21.13, 16 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-8-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;6-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;7-chloro-N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide;8-chloro-N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide;N-[2-(4-chlorophenyl)ethyl]-7-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide is sourced from PubChem (CID 159458933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).