N-[(2R)-1-(4-methylpiperazin-1-yl)-3-(3-nitrophenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide

Systemtic Name: N-[(2R)-1-(4-methylpiperazin-1-yl)-3-(3-nitrophenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1R)-2-(4-methylpiperazin-1-yl)-1-[(3-nitrophenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2R)-1-(4-methyl-1-piperazinyl)-3-[(3-nitrophenyl)thio]-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2R)-1-(4-methylpiperazin-1-yl)-3-(3-nitrophenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1R)-2-keto-2-(4-methylpiperazino)-1-[[(3-nitrophenyl)thio]methyl]ethyl]acetamide Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C

Isomeric SMILES

CC(=O)N[C@@H](CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C

InChI

InChI=1S/C16H22N4O4S/c1-12(21)17-15(16(22)19-8-6-18(2)7-9-19)11-25-14-5-3-4-13(10-14)20(23)24/h3-5,10,15H,6-9,11H2,1-2H3,(H,17,21)/t15-/m0/s1