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

Systemtic Name: N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-3-nitro-benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S/c1-19(17(22)12-6-5-7-13(10-12)20(23)24)11-16(21)18-14-8-3-4-9-15(14)25-2/h3-10H,11H2,1-2H3,(H,18,21)