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

Systemtic Name: N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-[2-(dimethylamino)-2-oxo-ethyl]-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-[2-(dimethylamino)-2-oxoethyl]-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(dimethylamino)-2-oxoethyl]-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-[2-(dimethylamino)-2-keto-ethyl]-3-nitro-4-(p-tolylthio)benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-12-4-7-14(8-5-12)26-16-9-6-13(10-15(16)21(24)25)18(23)19-11-17(22)20(2)3/h4-10H,11H2,1-3H3,(H,19,23)