2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-benzyl-N-(2-thienylmethyl)acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-cyclohexylamino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-benzyl-N-(2-thenyl)acetamide Formula: C31H41N3O2S MolecularWeight: 519.74114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC(CC1)N(CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H41N3O2S/c35-29(33(21-28-12-7-13-37-28)20-23-8-3-1-4-9-23)22-34(27-10-5-2-6-11-27)30(36)32-31-17-24-14-25(18-31)16-26(15-24)19-31/h1,3-4,7-9,12-13,24-27H,2,5-6,10-11,14-22H2,(H,32,36)