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

Systemtic Name: N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]-3-nitro-4-(p-tolylthio)benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-4-20-18(23)13(3)21-19(24)14-7-10-17(16(11-14)22(25)26)27-15-8-5-12(2)6-9-15/h5-11,13H,4H2,1-3H3,(H,20,23)(H,21,24)/t13-/m0/s1