2-[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanyl-N-(diphenylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanyl-N-(diphenylmethyl)ethanamide Openeye Name: N-benzhydryl-2-[4-(4-benzyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(phenylmethyl)-1-piperidinyl]-2-pyrimidinyl]thio]-N-(diphenylmethyl)acetamide IUPAC Name: N-benzhydryl-2-[4-(4-benzylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylacetamide Traditional Name: N-benzhydryl-2-[[4-(4-benzylpiperidino)-6-chloro-pyrimidin-2-yl]thio]acetamide Formula: C31H31ClN4OS MolecularWeight: 543.12204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C31H31ClN4OS/c32-27-21-28(36-18-16-24(17-19-36)20-23-10-4-1-5-11-23)34-31(33-27)38-22-29(37)35-30(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,21,24,30H,16-20,22H2,(H,35,37)