1-[3,4-bis(oxidanyl)phenyl]-2-(4,5-dihydro-1H-1,3-benzodiazepin-2-ylsulfanyl)ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(4,5-dihydro-1H-1,3-benzodiazepin-2-ylsulfanyl)ethanone Openeye Name: 2-(4,5-dihydro-1H-1,3-benzodiazepin-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone CAS Name: 2-(4,5-dihydro-1H-1,3-benzodiazepin-2-ylthio)-1-(3,4-dihydroxyphenyl)ethanone IUPAC Name: 2-(4,5-dihydro-1H-1,3-benzodiazepin-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone Traditional Name: 2-(4,5-dihydro-1H-1,3-benzodiazepin-2-ylthio)-1-(3,4-dihydroxyphenyl)ethanone Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(NC2=CC=CC=C21)SCC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

C1CN=C(NC2=CC=CC=C21)SCC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C17H16N2O3S/c20-14-6-5-12(9-15(14)21)16(22)10-23-17-18-8-7-11-3-1-2-4-13(11)19-17/h1-6,9,20-21H,7-8,10H2,(H,18,19)