N-methyl-4-(4-methylphenyl)sulfanyl-3-nitro-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]benzamide

Systemtic Name: N-methyl-4-(4-methylphenyl)sulfanyl-3-nitro-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]benzamide Openeye Name: N-[2-(isopropylamino)-2-oxo-ethyl]-N-methyl-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-methyl-4-[(4-methylphenyl)thio]-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide IUPAC Name: N-methyl-4-(4-methylphenyl)sulfanyl-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide Traditional Name: N-[2-(isopropylamino)-2-keto-ethyl]-N-methyl-3-nitro-4-(p-tolylthio)benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N(C)CC(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N(C)CC(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-13(2)21-19(24)12-22(4)20(25)15-7-10-18(17(11-15)23(26)27)28-16-8-5-14(3)6-9-16/h5-11,13H,12H2,1-4H3,(H,21,24)