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

Systemtic Name: 3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[[4-(4-acetyl-4-phenyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4-(4-acetyl-4-phenyl-1-piperidinyl)-6-chloro-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[[4-(4-acetyl-4-phenylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[[4-(4-acetyl-4-phenyl-piperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C28H31ClN4O2S MolecularWeight: 523.08934

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H31ClN4O2S/c1-19(2)30-26(35)22-9-7-8-21(16-22)18-36-27-31-24(29)17-25(32-27)33-14-12-28(13-15-33,20(3)34)23-10-5-4-6-11-23/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,30,35)