N-methyl-N-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-methyl-N-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl]-N-methyl-4-(methylthio)-3-nitro-benzamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S/c1-13-10-19(26)22-15-6-4-5-7-16(15)24(13)20(27)12-23(2)21(28)14-8-9-18(31-3)17(11-14)25(29)30/h4-9,11,13H,10,12H2,1-3H3,(H,22,26)