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

Systemtic Name: 4-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: 4-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-isobutyl-benzamide CAS Name: 4-[[[4-ethyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 4-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: 4-[[[4-ethyl-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-isobutyl-benzamide Formula: C29H37N5O2S MolecularWeight: 519.70138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC(C)C)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC(C)C)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H37N5O2S/c1-5-24-18-27(34-16-14-33(15-17-34)25-10-12-26(36-4)13-11-25)32-29(31-24)37-20-22-6-8-23(9-7-22)28(35)30-19-21(2)3/h6-13,18,21H,5,14-17,19-20H2,1-4H3,(H,30,35)