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

Systemtic Name: N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1R)-1-(benzylcarbamoyl)-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[(2R)-4-(methylthio)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2R)-1-(benzylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1R)-1-(benzylcarbamoyl)-3-(methylthio)propyl]-3-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)NCC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-27-11-10-17(19(24)20-13-14-6-3-2-4-7-14)21-18(23)15-8-5-9-16(12-15)22(25)26/h2-9,12,17H,10-11,13H2,1H3,(H,20,24)(H,21,23)/t17-/m1/s1