6-[2-(azepan-1-yl)ethylsulfanyl]-11H-pyrido[2,3-b][1,4]benzodiazepine

Systemtic Name: 6-[2-(azepan-1-yl)ethylsulfanyl]-11H-pyrido[2,3-b][1,4]benzodiazepine Openeye Name: 6-[2-(azepan-1-yl)ethylsulfanyl]-11H-pyrido[2,3-b][1,4]benzodiazepine CAS Name: 6-[2-(1-azepanyl)ethylthio]-11H-pyrido[2,3-b][1,4]benzodiazepine IUPAC Name: 6-[2-(azepan-1-yl)ethylsulfanyl]-11H-pyrido[2,3-b][1,4]benzodiazepine Traditional Name: 6-[2-(azepan-1-yl)ethylthio]-11H-pyrido[2,3-b][1,4]benzodiazepine Formula: C20H24N4S MolecularWeight: 352.49636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

Isomeric SMILES

C1CCCN(CC1)CCSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

InChI

InChI=1S/C20H24N4S/c1-2-6-13-24(12-5-1)14-15-25-20-16-8-3-4-9-17(16)22-19-18(23-20)10-7-11-21-19/h3-4,7-11H,1-2,5-6,12-15H2,(H,21,22)