3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

Systemtic Name: 3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide Openeye Name: 3-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide CAS Name: 3-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide IUPAC Name: 3-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide Traditional Name: 3-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]-N-homoveratryl-benzamide Formula: C27H31ClN4O3S MolecularWeight: 527.07804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4)OC

InChI

InChI=1S/C27H31ClN4O3S/c1-34-22-10-9-19(16-23(22)35-2)11-12-29-26(33)21-8-6-7-20(15-21)18-36-27-30-24(28)17-25(31-27)32-13-4-3-5-14-32/h6-10,15-17H,3-5,11-14,18H2,1-2H3,(H,29,33)