4-[[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide

Systemtic Name: 4-[[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide Openeye Name: 4-[[4-(4-benzyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide CAS Name: 4-[[[4-chloro-6-[4-(phenylmethyl)-1-piperidinyl]-2-pyrimidinyl]thio]methyl]-N-cyclohexylbenzamide IUPAC Name: 4-[[4-(4-benzylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-cyclohexylbenzamide Traditional Name: 4-[[[4-(4-benzylpiperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-cyclohexyl-benzamide Formula: C30H35ClN4OS MolecularWeight: 535.1431

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H35ClN4OS/c31-27-20-28(35-17-15-23(16-18-35)19-22-7-3-1-4-8-22)34-30(33-27)37-21-24-11-13-25(14-12-24)29(36)32-26-9-5-2-6-10-26/h1,3-4,7-8,11-14,20,23,26H,2,5-6,9-10,15-19,21H2,(H,32,36)