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

Systemtic Name: 4-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-benzamide Openeye Name: 4-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-benzamide CAS Name: 4-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide IUPAC Name: 4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide Traditional Name: 4-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]-N-homoveratryl-N-methyl-benzamide Formula: C28H33ClN4O3S MolecularWeight: 541.10462

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4

InChI

InChI=1S/C28H33ClN4O3S/c1-32(16-13-20-9-12-23(35-2)24(17-20)36-3)27(34)22-10-7-21(8-11-22)19-37-28-30-25(29)18-26(31-28)33-14-5-4-6-15-33/h7-12,17-18H,4-6,13-16,19H2,1-3H3