4-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(phenylmethyl)benzamide

Systemtic Name: 4-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-4-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[4-ethyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-4-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-benzyl-4-[[[4-ethyl-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]methyl]benzamide Formula: C32H35N5O2S MolecularWeight: 553.7176

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C32H35N5O2S/c1-3-27-21-30(37-19-17-36(18-20-37)28-13-15-29(39-2)16-14-28)35-32(34-27)40-23-25-9-11-26(12-10-25)31(38)33-22-24-7-5-4-6-8-24/h4-16,21H,3,17-20,22-23H2,1-2H3,(H,33,38)