N-(1-ethynylcyclohexyl)-2-[1-(2,3,4-trimethoxyphenyl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1-ethynylcyclohexyl)-2-[1-(2,3,4-trimethoxyphenyl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1-ethynylcyclohexyl)-2-[1-(2,3,4-trimethoxybenzoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(1-ethynylcyclohexyl)-2-[1-[oxo-(2,3,4-trimethoxyphenyl)methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(1-ethynylcyclohexyl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(1-ethynylcyclohexyl)-2-[1-(2,3,4-trimethoxybenzoyl)-4-piperidyl]thiazole-4-carboxamide Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4(CCCCC4)C#C)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4(CCCCC4)C#C)OC)OC

InChI

InChI=1S/C27H33N3O5S/c1-5-27(13-7-6-8-14-27)29-24(31)20-17-36-25(28-20)18-11-15-30(16-12-18)26(32)19-9-10-21(33-2)23(35-4)22(19)34-3/h1,9-10,17-18H,6-8,11-16H2,2-4H3,(H,29,31)