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

Systemtic Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-3-(4-phenoxyphenyl)sulfanyl-propan-2-yl]ethanamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-[(4-phenoxyphenyl)sulfanylmethyl]ethyl]acetamide CAS Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxo-3-[(4-phenoxyphenyl)thio]propan-2-yl]acetamide IUPAC Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide Traditional Name: N-[2-keto-1-[[(4-phenoxyphenyl)thio]methyl]-2-(4-piperonylpiperazino)ethyl]acetamide Formula: C29H31N3O5S MolecularWeight: 533.63854

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H31N3O5S/c1-21(33)30-26(19-38-25-10-8-24(9-11-25)37-23-5-3-2-4-6-23)29(34)32-15-13-31(14-16-32)18-22-7-12-27-28(17-22)36-20-35-27/h2-12,17,26H,13-16,18-20H2,1H3,(H,30,33)