2-chloranyl-N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(1R)-3-methylsulfanyl-1-(phenylcarbamoyl)propyl]-4-nitro-benzamide CAS Name: N-[(2R)-1-anilino-4-(methylthio)-1-oxobutan-2-yl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[(2R)-1-anilino-4-methylsulfanyl-1-oxobutan-2-yl]-2-chloro-4-nitrobenzamide Traditional Name: 2-chloro-N-[(1R)-3-(methylthio)-1-(phenylcarbamoyl)propyl]-4-nitro-benzamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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