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

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone Traditional Name: 1-(4-phenylpiperazino)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)ethanone Formula: C24H23N5OS MolecularWeight: 429.53732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(NC5=CC=CC=C53)N=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(NC5=CC=CC=C53)N=CC=C4

InChI

InChI=1S/C24H23N5OS/c30-22(29-15-13-28(14-16-29)18-7-2-1-3-8-18)17-31-24-19-9-4-5-10-20(19)26-23-21(27-24)11-6-12-25-23/h1-12H,13-17H2,(H,25,26)