4-(4-methylphenyl)sulfanyl-3-nitro-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: 4-[(4-methylphenyl)thio]-3-nitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]-3-nitro-4-(p-tolylthio)benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-4-11-21-19(24)14(3)22-20(25)15-7-10-18(17(12-15)23(26)27)28-16-8-5-13(2)6-9-16/h5-10,12,14H,4,11H2,1-3H3,(H,21,24)(H,22,25)/t14-/m0/s1