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

Systemtic Name: 2-[1-adamantylcarbamoyl(butan-2-yl)amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(sec-butyl)amino]-N-benzyl-N-(2-thienylmethyl)acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-butan-2-ylamino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(butan-2-yl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[1-adamantylcarbamoyl(sec-butyl)amino]-N-benzyl-N-(2-thenyl)acetamide Formula: C29H39N3O2S MolecularWeight: 493.70386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CS2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CS2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H39N3O2S/c1-3-21(2)32(28(34)30-29-15-23-12-24(16-29)14-25(13-23)17-29)20-27(33)31(19-26-10-7-11-35-26)18-22-8-5-4-6-9-22/h4-11,21,23-25H,3,12-20H2,1-2H3,(H,30,34)