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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O2S/c1-2-10-30(27(33)29-28-15-22-12-23(16-28)14-24(13-22)17-28)20-26(32)31(19-25-9-6-11-34-25)18-21-7-4-3-5-8-21/h2-9,11,22-24H,1,10,12-20H2,(H,29,33)