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

Systemtic Name: 2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-benzyl-N-(2-thienylmethyl)acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-cyclopropylamino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-benzyl-N-(2-thenyl)acetamide Formula: C28H35N3O2S MolecularWeight: 477.6614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC1N(CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H35N3O2S/c32-26(30(18-25-7-4-10-34-25)17-20-5-2-1-3-6-20)19-31(24-8-9-24)27(33)29-28-14-21-11-22(15-28)13-23(12-21)16-28/h1-7,10,21-24H,8-9,11-19H2,(H,29,33)