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

Systemtic Name: N-[(2S)-3-(3-nitrophenyl)sulfanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[(3-nitrophenyl)sulfanylmethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide CAS Name: N-[(2S)-3-[(3-nitrophenyl)thio]-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]acetamide IUPAC Name: N-[(2S)-3-(3-nitrophenyl)sulfanyl-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]acetamide Traditional Name: N-[(1S)-2-keto-1-[[(3-nitrophenyl)thio]methyl]-2-(4-phenylpiperazino)ethyl]acetamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4S/c1-16(26)22-20(15-30-19-9-5-8-18(14-19)25(28)29)21(27)24-12-10-23(11-13-24)17-6-3-2-4-7-17/h2-9,14,20H,10-13,15H2,1H3,(H,22,26)/t20-/m1/s1