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

Systemtic Name: N-[(2R)-1-[(3-chlorophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1R)-1-[(3-chlorophenyl)carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[(2R)-1-(3-chloroanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2R)-1-(3-chloroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1R)-1-[(3-chlorophenyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC(=CC=C1)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)NC1=CC(=CC=C1)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O4S/c1-27-9-8-16(18(24)20-14-6-3-5-13(19)11-14)21-17(23)12-4-2-7-15(10-12)22(25)26/h2-7,10-11,16H,8-9H2,1H3,(H,20,24)(H,21,23)/t16-/m1/s1