N-[(2S)-1-[(4-methylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[(4-methylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-(p-tolylcarbamoyl)propyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(4-methylanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(4-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-3-(methylthio)-1-(p-tolylcarbamoyl)propyl]-3-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-13-6-8-15(9-7-13)20-19(24)17(10-11-27-2)21-18(23)14-4-3-5-16(12-14)22(25)26/h3-9,12,17H,10-11H2,1-2H3,(H,20,24)(H,21,23)/t17-/m0/s1