2-(2,5-dimethoxyphenyl)sulfanyl-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyridine-3-carboxamide

Systemtic Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyridine-3-carboxamide Openeye Name: N-[(1R,2R)-2-benzyloxycyclohexyl]-2-(2,5-dimethoxyphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: 2-[(2,5-dimethoxyphenyl)thio]-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-[(1R,2R)-2-phenylmethoxycyclohexyl]pyridine-3-carboxamide Traditional Name: N-[(1R,2R)-2-benzoxycyclohexyl]-2-[(2,5-dimethoxyphenyl)thio]nicotinamide Formula: C27H30N2O4S MolecularWeight: 478.6031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)NC3CCCCC3OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)N[C@@H]3CCCC[C@H]3OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4S/c1-31-20-14-15-24(32-2)25(17-20)34-27-21(11-8-16-28-27)26(30)29-22-12-6-7-13-23(22)33-18-19-9-4-3-5-10-19/h3-5,8-11,14-17,22-23H,6-7,12-13,18H2,1-2H3,(H,29,30)/t22-,23-/m1/s1