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

Systemtic Name: N-[(2S)-3-(3-nitrophenyl)sulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(4-benzylpiperazin-1-yl)-1-[(3-nitrophenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-3-[(3-nitrophenyl)thio]-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(3-nitrophenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(4-benzylpiperazino)-2-keto-1-[[(3-nitrophenyl)thio]methyl]ethyl]acetamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O4S/c1-17(27)23-21(16-31-20-9-5-8-19(14-20)26(29)30)22(28)25-12-10-24(11-13-25)15-18-6-3-2-4-7-18/h2-9,14,21H,10-13,15-16H2,1H3,(H,23,27)/t21-/m1/s1