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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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