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

Systemtic Name: 4-chloranyl-N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1R)-3-methylsulfanyl-1-(phenylcarbamoyl)propyl]-3-nitro-benzamide CAS Name: N-[(2R)-1-anilino-4-(methylthio)-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[(2R)-1-anilino-4-methylsulfanyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1R)-3-(methylthio)-1-(phenylcarbamoyl)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)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O4S/c1-27-10-9-15(18(24)20-13-5-3-2-4-6-13)21-17(23)12-7-8-14(19)16(11-12)22(25)26/h2-8,11,15H,9-10H2,1H3,(H,20,24)(H,21,23)/t15-/m1/s1