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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(4-ethanoylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-(4-acetylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide CAS Name: 4-[[[4-(4-acetyl-1-piperazinyl)-6-ethyl-2-pyrimidinyl]thio]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide IUPAC Name: 4-[[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide Traditional Name: 4-[[[4-(4-acetylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-piperonyl-benzamide Formula: C28H31N5O4S MolecularWeight: 533.64184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)N5CCN(CC5)C(=O)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)N5CCN(CC5)C(=O)C

InChI

InChI=1S/C28H31N5O4S/c1-3-23-15-26(33-12-10-32(11-13-33)19(2)34)31-28(30-23)38-17-20-4-7-22(8-5-20)27(35)29-16-21-6-9-24-25(14-21)37-18-36-24/h4-9,14-15H,3,10-13,16-18H2,1-2H3,(H,29,35)