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

Systemtic Name: N-[(2R)-1-(cycloheptylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1R)-1-(cycloheptylcarbamoyl)-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[(2R)-1-(cycloheptylamino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2R)-1-(cycloheptylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1R)-1-(cycloheptylcarbamoyl)-3-(methylthio)propyl]-3-nitro-benzamide Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CCCCCC1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)NC1CCCCCC1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O4S/c1-27-12-11-17(19(24)20-15-8-4-2-3-5-9-15)21-18(23)14-7-6-10-16(13-14)22(25)26/h6-7,10,13,15,17H,2-5,8-9,11-12H2,1H3,(H,20,24)(H,21,23)/t17-/m1/s1