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

Systemtic Name: 4-methoxy-N-[(2R)-4-methylsulfanyl-1-[(3-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-methoxy-N-[(1R)-3-methylsulfanyl-1-[(3-nitrophenyl)carbamoyl]propyl]benzamide CAS Name: 4-methoxy-N-[(2R)-4-(methylthio)-1-(3-nitroanilino)-1-oxobutan-2-yl]benzamide IUPAC Name: 4-methoxy-N-[(2R)-4-methylsulfanyl-1-(3-nitroanilino)-1-oxobutan-2-yl]benzamide Traditional Name: 4-methoxy-N-[(1R)-3-(methylthio)-1-[(3-nitrophenyl)carbamoyl]propyl]benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N[C@H](CCSC)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-27-16-8-6-13(7-9-16)18(23)21-17(10-11-28-2)19(24)20-14-4-3-5-15(12-14)22(25)26/h3-9,12,17H,10-11H2,1-2H3,(H,20,24)(H,21,23)/t17-/m1/s1