N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(5-thiomorpholin-4-ylcarbonylpyrimidin-2-yl)benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(5-thiomorpholin-4-ylcarbonylpyrimidin-2-yl)benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[5-(thiomorpholine-4-carbonyl)pyrimidin-2-yl]benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[5-[oxo(thiomorpholin-4-yl)methyl]-2-pyrimidinyl]benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[5-(thiomorpholine-4-carbonyl)pyrimidin-2-yl]benzamide Traditional Name: N-homoveratryl-N-methyl-3-[5-(thiomorpholine-4-carbonyl)pyrimidin-2-yl]benzamide Formula: C27H30N4O4S MolecularWeight: 506.6165

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=CC(=C2)C3=NC=C(C=N3)C(=O)N4CCSCC4

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=CC(=C2)C3=NC=C(C=N3)C(=O)N4CCSCC4

InChI

InChI=1S/C27H30N4O4S/c1-30(10-9-19-7-8-23(34-2)24(15-19)35-3)26(32)21-6-4-5-20(16-21)25-28-17-22(18-29-25)27(33)31-11-13-36-14-12-31/h4-8,15-18H,9-14H2,1-3H3