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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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