N-(3-methylsulfanylphenyl)-2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Openeye Name: N-(3-methylsulfanylphenyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide CAS Name: N-[3-(methylthio)phenyl]-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide IUPAC Name: N-(3-methylsulfanylphenyl)-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Traditional Name: 2,4-diketo-N-[3-(methylthio)phenyl]-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide Formula: C16H15N3O4S2 MolecularWeight: 377.438

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC(=O)N3

Isomeric SMILES

CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC(=O)N3

InChI

InChI=1S/C16H15N3O4S2/c1-24-11-4-2-3-10(7-11)19-25(22,23)12-5-6-13-14(8-12)18-16(21)9-15(20)17-13/h2-8,19H,9H2,1H3,(H,17,20)(H,18,21)