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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35ClN4O2S/c1-20(2)21(3)32-28(37)24-10-8-9-23(17-24)19-38-29-33-26(31)18-27(34-29)35-15-13-30(14-16-35,22(4)36)25-11-6-5-7-12-25/h5-12,17-18,20-21H,13-16,19H2,1-4H3,(H,32,37)