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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-13-3-7-16(8-4-13)27-10-9-20-18(23)12-21-19(24)15-6-5-14(2)17(11-15)22(25)26/h3-8,11H,9-10,12H2,1-2H3,(H,20,23)(H,21,24)