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

Systemtic Name: 2-[2-(azepan-1-yl)ethylsulfanyl]-7-chloranyl-5-(2-chlorophenyl)-3H-1,4-benzodiazepine Openeye Name: 2-[2-(azepan-1-yl)ethylsulfanyl]-7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepine CAS Name: 2-[2-(1-azepanyl)ethylthio]-7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepine IUPAC Name: 2-[2-(azepan-1-yl)ethylsulfanyl]-7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepine Traditional Name: 2-[2-(azepan-1-yl)ethylthio]-7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepine Formula: C23H25Cl2N3S MolecularWeight: 446.4357

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCSC2=NC3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCCN(CC1)CCSC2=NC3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H25Cl2N3S/c24-17-9-10-21-19(15-17)23(18-7-3-4-8-20(18)25)26-16-22(27-21)29-14-13-28-11-5-1-2-6-12-28/h3-4,7-10,15H,1-2,5-6,11-14,16H2