N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)sulfanyl-propan-2-yl]ethanamide

Systemtic Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)sulfanyl-propan-2-yl]ethanamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-[(4-benzyloxyphenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxo-3-[(4-phenylmethoxyphenyl)thio]propan-2-yl]acetamide IUPAC Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide Traditional Name: N-[1-[[(4-benzoxyphenyl)thio]methyl]-2-keto-2-(4-piperonylpiperazino)ethyl]acetamide Formula: C30H33N3O5S MolecularWeight: 547.66512

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)NC(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C30H33N3O5S/c1-22(34)31-27(20-39-26-10-8-25(9-11-26)36-19-23-5-3-2-4-6-23)30(35)33-15-13-32(14-16-33)18-24-7-12-28-29(17-24)38-21-37-28/h2-12,17,27H,13-16,18-21H2,1H3,(H,31,34)