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

Systemtic Name: 2-chloranyl-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-4-nitro-benzamide Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O4S/c1-20(10-16(22)19-14-5-3-4-6-15(14)26-2)17(23)12-8-7-11(21(24)25)9-13(12)18/h3-9H,10H2,1-2H3,(H,19,22)