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

Systemtic Name: N-butan-2-yl-2-[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-(4-benzyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[4-chloro-6-[4-(phenylmethyl)-1-piperidinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: 2-[4-(4-benzylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-butan-2-ylacetamide Traditional Name: 2-[[4-(4-benzylpiperidino)-6-chloro-pyrimidin-2-yl]thio]-N-sec-butyl-acetamide Formula: C22H29ClN4OS MolecularWeight: 433.00986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29ClN4OS/c1-3-16(2)24-21(28)15-29-22-25-19(23)14-20(26-22)27-11-9-18(10-12-27)13-17-7-5-4-6-8-17/h4-8,14,16,18H,3,9-13,15H2,1-2H3,(H,24,28)