3-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide

Systemtic Name: 3-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide Openeye Name: 3-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide CAS Name: 3-[[[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-phenyl-2-pyrimidinyl]thio]methyl]-N-ethylbenzamide IUPAC Name: 3-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-ethylbenzamide Traditional Name: N-ethyl-3-[[[4-phenyl-6-(4-piperonylpiperazino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C32H33N5O3S MolecularWeight: 567.70112

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C32H33N5O3S/c1-2-33-31(38)26-10-6-7-24(17-26)21-41-32-34-27(25-8-4-3-5-9-25)19-30(35-32)37-15-13-36(14-16-37)20-23-11-12-28-29(18-23)40-22-39-28/h3-12,17-19H,2,13-16,20-22H2,1H3,(H,33,38)