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

Systemtic Name: N-[(2S)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[(4-benzyloxyphenyl)sulfanylmethyl]-2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-1-oxo-3-[(4-phenylmethoxyphenyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide Traditional Name: N-[(1S)-1-[[(4-benzoxyphenyl)thio]methyl]-2-(4-benzylpiperazino)-2-keto-ethyl]acetamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O3S/c1-23(33)30-28(29(34)32-18-16-31(17-19-32)20-24-8-4-2-5-9-24)22-36-27-14-12-26(13-15-27)35-21-25-10-6-3-7-11-25/h2-15,28H,16-22H2,1H3,(H,30,33)/t28-/m1/s1