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

Systemtic Name: N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-N-methyl-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-[2-(dimethylamino)-2-oxo-ethyl]-N-methyl-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-[2-(dimethylamino)-2-keto-ethyl]-N-methyl-3-nitro-4-(p-tolylthio)benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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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)N(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-13-5-8-15(9-6-13)27-17-10-7-14(11-16(17)22(25)26)19(24)21(4)12-18(23)20(2)3/h5-11H,12H2,1-4H3