2-[3-(azepan-1-yl)propylsulfanyl]-7-chloranyl-5-(2-chlorophenyl)-3H-1,4-benzodiazepine

Systemtic Name: 2-[3-(azepan-1-yl)propylsulfanyl]-7-chloranyl-5-(2-chlorophenyl)-3H-1,4-benzodiazepine Openeye Name: 2-[3-(azepan-1-yl)propylsulfanyl]-7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepine CAS Name: 2-[3-(1-azepanyl)propylthio]-7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepine IUPAC Name: 2-[3-(azepan-1-yl)propylsulfanyl]-7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepine Traditional Name: 2-[3-(azepan-1-yl)propylthio]-7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepine Formula: C24H27Cl2N3S MolecularWeight: 460.46228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCSC2=NC3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCCN(CC1)CCCSC2=NC3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H27Cl2N3S/c25-18-10-11-22-20(16-18)24(19-8-3-4-9-21(19)26)27-17-23(28-22)30-15-7-14-29-12-5-1-2-6-13-29/h3-4,8-11,16H,1-2,5-7,12-15,17H2