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

Systemtic Name: N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-4-nitrobenzamide IUPAC Name: N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-nitrobenzamide Traditional Name: N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-4-nitro-benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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