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

Systemtic Name: N-[4-(1-adamantylcarbamoylamino)cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[4-(1-adamantylcarbamoylamino)cyclohexyl]-2-[(4-methylphenoxy)methyl]thiazole-4-carboxamide CAS Name: N-[4-[[(1-adamantylamino)-oxomethyl]amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-4-thiazolecarboxamide IUPAC Name: N-[4-(1-adamantylcarbamoylamino)cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[4-(1-adamantylcarbamoylamino)cyclohexyl]-2-[(4-methylphenoxy)methyl]thiazole-4-carboxamide Formula: C29H38N4O3S MolecularWeight: 522.70202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)NC3CCC(CC3)NC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)NC3CCC(CC3)NC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H38N4O3S/c1-18-2-8-24(9-3-18)36-16-26-32-25(17-37-26)27(34)30-22-4-6-23(7-5-22)31-28(35)33-29-13-19-10-20(14-29)12-21(11-19)15-29/h2-3,8-9,17,19-23H,4-7,10-16H2,1H3,(H,30,34)(H2,31,33,35)