N-[2-(1-adamantylcarbamoylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(1-adamantylcarbamoylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(1-adamantylcarbamoylamino)cyclohexyl]-2-(phenoxymethyl)thiazole-4-carboxamide CAS Name: N-[2-[[(1-adamantylamino)-oxomethyl]amino]cyclohexyl]-2-(phenoxymethyl)-4-thiazolecarboxamide IUPAC Name: N-[2-(1-adamantylcarbamoylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(1-adamantylcarbamoylamino)cyclohexyl]-2-(phenoxymethyl)thiazole-4-carboxamide Formula: C28H36N4O3S MolecularWeight: 508.67544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2=CSC(=N2)COC3=CC=CC=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC(C(C1)NC(=O)C2=CSC(=N2)COC3=CC=CC=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H36N4O3S/c33-26(24-17-36-25(29-24)16-35-21-6-2-1-3-7-21)30-22-8-4-5-9-23(22)31-27(34)32-28-13-18-10-19(14-28)12-20(11-18)15-28/h1-3,6-7,17-20,22-23H,4-5,8-16H2,(H,30,33)(H2,31,32,34)