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

Systemtic Name: 4-[[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 4-[[4-(4-benzyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 4-[[[4-chloro-6-[4-(phenylmethyl)-1-piperidinyl]-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 4-[[4-(4-benzylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 4-[[[4-(4-benzylpiperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C27H31ClN4OS MolecularWeight: 495.07924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClN4OS/c1-19(2)29-26(33)23-10-8-22(9-11-23)18-34-27-30-24(28)17-25(31-27)32-14-12-21(13-15-32)16-20-6-4-3-5-7-20/h3-11,17,19,21H,12-16,18H2,1-2H3,(H,29,33)