N-[(2R)-1-[(2,3-dimethylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2R)-1-[(2,3-dimethylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1R)-1-[(2,3-dimethylphenyl)carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[(2R)-1-(2,3-dimethylanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2R)-1-(2,3-dimethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1R)-1-[(2,3-dimethylphenyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-13-6-4-9-17(14(13)2)21-20(25)18(10-11-28-3)22-19(24)15-7-5-8-16(12-15)23(26)27/h4-9,12,18H,10-11H2,1-3H3,(H,21,25)(H,22,24)/t18-/m1/s1