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

Systemtic Name: 2-[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)ethanamide Openeye Name: 2-[4-(4-benzyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-(phenylmethyl)-1-piperidinyl]-2-pyrimidinyl]thio]-N-(1-phenylethyl)acetamide IUPAC Name: 2-[4-(4-benzylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide Traditional Name: 2-[[4-(4-benzylpiperidino)-6-chloro-pyrimidin-2-yl]thio]-N-(1-phenylethyl)acetamide Formula: C26H29ClN4OS MolecularWeight: 481.05266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29ClN4OS/c1-19(22-10-6-3-7-11-22)28-25(32)18-33-26-29-23(27)17-24(30-26)31-14-12-21(13-15-31)16-20-8-4-2-5-9-20/h2-11,17,19,21H,12-16,18H2,1H3,(H,28,32)