N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-(4-methylphenyl)sulfanyl-phenyl]ethanamide

Systemtic Name: N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-(4-methylphenyl)sulfanyl-phenyl]ethanamide Openeye Name: N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-(p-tolylsulfanyl)phenyl]acetamide CAS Name: N-[5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-[(4-methylphenyl)thio]phenyl]acetamide IUPAC Name: N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-(4-methylphenyl)sulfanylphenyl]acetamide Traditional Name: N-[5-(4-piperonylpiperazine-1-carbonyl)-2-(p-tolylthio)phenyl]acetamide Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NC(=O)C

InChI

InChI=1S/C28H29N3O4S/c1-19-3-7-23(8-4-19)36-27-10-6-22(16-24(27)29-20(2)32)28(33)31-13-11-30(12-14-31)17-21-5-9-25-26(15-21)35-18-34-25/h3-10,15-16H,11-14,17-18H2,1-2H3,(H,29,32)