4-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]-3-nitro-benzamide

Systemtic Name: 4-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]-3-nitro-benzamide Openeye Name: 4-[methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]-3-nitro-benzamide CAS Name: 4-[methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]amino]-3-nitrobenzamide IUPAC Name: 4-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-amino]-3-nitro-benzamide Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S/c1-20(10-16(22)19-12-5-3-4-6-15(12)26-2)13-8-7-11(17(18)23)9-14(13)21(24)25/h3-9H,10H2,1-2H3,(H2,18,23)(H,19,22)