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

Systemtic Name: N-[(2S)-1-oxidanylidene-3-(4-phenoxyphenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(4-benzylpiperazin-1-yl)-2-oxo-1-[(4-phenoxyphenyl)sulfanylmethyl]ethyl]acetamide CAS Name: N-[(2S)-1-oxo-3-[(4-phenoxyphenyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(4-benzylpiperazino)-2-keto-1-[[(4-phenoxyphenyl)thio]methyl]ethyl]acetamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O3S/c1-22(32)29-27(21-35-26-14-12-25(13-15-26)34-24-10-6-3-7-11-24)28(33)31-18-16-30(17-19-31)20-23-8-4-2-5-9-23/h2-15,27H,16-21H2,1H3,(H,29,32)/t27-/m1/s1