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

Systemtic Name: N-[(2R)-1-[(3-cyanophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1R)-1-[(3-cyanophenyl)carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[(2R)-1-(3-cyanoanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2R)-1-(3-cyanoanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1R)-1-[(3-cyanophenyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S/c1-28-9-8-17(19(25)21-15-6-2-4-13(10-15)12-20)22-18(24)14-5-3-7-16(11-14)23(26)27/h2-7,10-11,17H,8-9H2,1H3,(H,21,25)(H,22,24)/t17-/m1/s1