N-(3-methylphenyl)-4-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-butanamide

Systemtic Name: N-(3-methylphenyl)-4-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-butanamide Openeye Name: N-(m-tolyl)-4-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanyl-butanamide CAS Name: N-(3-methylphenyl)-4-[[2-(3-nitroanilino)-2-oxoethyl]thio]butanamide IUPAC Name: N-(3-methylphenyl)-4-[2-(3-nitroanilino)-2-oxoethyl]sulfanylbutanamide Traditional Name: 4-[[2-keto-2-(3-nitroanilino)ethyl]thio]-N-(m-tolyl)butyramide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-14-5-2-6-15(11-14)20-18(23)9-4-10-27-13-19(24)21-16-7-3-8-17(12-16)22(25)26/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,20,23)(H,21,24)