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

Systemtic Name: 3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3,4-dimethylphenyl)benzamide Openeye Name: 3-[[4-(4-acetyl-4-phenyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-(3,4-dimethylphenyl)benzamide CAS Name: 3-[[[4-(4-acetyl-4-phenyl-1-piperidinyl)-6-chloro-2-pyrimidinyl]thio]methyl]-N-(3,4-dimethylphenyl)benzamide IUPAC Name: 3-[[4-(4-acetyl-4-phenylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(3,4-dimethylphenyl)benzamide Traditional Name: 3-[[[4-(4-acetyl-4-phenyl-piperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-(3,4-dimethylphenyl)benzamide Formula: C33H33ClN4O2S MolecularWeight: 585.15872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCC(CC4)(C5=CC=CC=C5)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCC(CC4)(C5=CC=CC=C5)C(=O)C)C

InChI

InChI=1S/C33H33ClN4O2S/c1-22-12-13-28(18-23(22)2)35-31(40)26-9-7-8-25(19-26)21-41-32-36-29(34)20-30(37-32)38-16-14-33(15-17-38,24(3)39)27-10-5-4-6-11-27/h4-13,18-20H,14-17,21H2,1-3H3,(H,35,40)