2-[1-adamantylcarbamoyl(propyl)amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[1-adamantylcarbamoyl(propyl)amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(propyl)amino]-N-benzyl-N-[(5-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-propylamino]-N-[(5-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(propyl)amino]-N-benzyl-N-[(5-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(propyl)amino]-N-benzyl-N-[(5-methyl-2-thienyl)methyl]acetamide Formula: C29H39N3O2S MolecularWeight: 493.70386

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=C(S2)C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=C(S2)C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

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