N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenylthiazol-2-yl)cyclohexanecarboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenyl-2-thiazolyl)cyclohexanecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide Traditional Name: N-homoveratryl-N-(4-phenylthiazol-2-yl)cyclohexanecarboxamide Formula: C26H30N2O3S MolecularWeight: 450.593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(C2=NC(=CS2)C3=CC=CC=C3)C(=O)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(C2=NC(=CS2)C3=CC=CC=C3)C(=O)C4CCCCC4)OC

InChI

InChI=1S/C26H30N2O3S/c1-30-23-14-13-19(17-24(23)31-2)15-16-28(25(29)21-11-7-4-8-12-21)26-27-22(18-32-26)20-9-5-3-6-10-20/h3,5-6,9-10,13-14,17-18,21H,4,7-8,11-12,15-16H2,1-2H3