3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutyl)benzamide

Systemtic Name: 3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutyl)benzamide Openeye Name: 3-[[4-(4-acetyl-4-phenyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-isopentyl-benzamide CAS Name: 3-[[[4-(4-acetyl-4-phenyl-1-piperidinyl)-6-chloro-2-pyrimidinyl]thio]methyl]-N-(3-methylbutyl)benzamide IUPAC Name: 3-[[4-(4-acetyl-4-phenylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutyl)benzamide Traditional Name: 3-[[[4-(4-acetyl-4-phenyl-piperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-isoamyl-benzamide Formula: C30H35ClN4O2S MolecularWeight: 551.1425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35ClN4O2S/c1-21(2)12-15-32-28(37)24-9-7-8-23(18-24)20-38-29-33-26(31)19-27(34-29)35-16-13-30(14-17-35,22(3)36)25-10-5-4-6-11-25/h4-11,18-19,21H,12-17,20H2,1-3H3,(H,32,37)