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

Systemtic Name: N-butyl-4-[[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-(4-benzyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-butyl-benzamide CAS Name: N-butyl-4-[[[4-chloro-6-[4-(phenylmethyl)-1-piperidinyl]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: 4-[[4-(4-benzylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-butylbenzamide Traditional Name: 4-[[[4-(4-benzylpiperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-butyl-benzamide Formula: C28H33ClN4OS MolecularWeight: 509.10582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33ClN4OS/c1-2-3-15-30-27(34)24-11-9-23(10-12-24)20-35-28-31-25(29)19-26(32-28)33-16-13-22(14-17-33)18-21-7-5-4-6-8-21/h4-12,19,22H,2-3,13-18,20H2,1H3,(H,30,34)