1-(azepan-1-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone CAS Name: 1-(1-azepanyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)ethanone Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

InChI

InChI=1S/C20H22N4OS/c25-18(24-12-5-1-2-6-13-24)14-26-20-15-8-3-4-9-16(15)22-19-17(23-20)10-7-11-21-19/h3-4,7-11H,1-2,5-6,12-14H2,(H,21,22)