3-[[4-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1,3-thiazol-5-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1,3-thiazol-5-yl]carbonylamino]benzoic acid Openeye Name: 3-[[4-[2-(1-adamantyl)ethyl]-2-cyclohexyl-thiazole-5-carbonyl]amino]benzoic acid CAS Name: 3-[[[4-[2-(1-adamantyl)ethyl]-2-cyclohexyl-5-thiazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1,3-thiazole-5-carbonyl]amino]benzoic acid Traditional Name: 3-[[4-[2-(1-adamantyl)ethyl]-2-cyclohexyl-thiazole-5-carbonyl]amino]benzoic acid Formula: C29H36N2O3S MolecularWeight: 492.67274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=C(S2)C(=O)NC3=CC=CC(=C3)C(=O)O)CCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC(CC1)C2=NC(=C(S2)C(=O)NC3=CC=CC(=C3)C(=O)O)CCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H36N2O3S/c32-26(30-23-8-4-7-22(14-23)28(33)34)25-24(31-27(35-25)21-5-2-1-3-6-21)9-10-29-15-18-11-19(16-29)13-20(12-18)17-29/h4,7-8,14,18-21H,1-3,5-6,9-13,15-17H2,(H,30,32)(H,33,34)