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

Systemtic Name: 2-[1-adamantylcarbamoyl(butan-2-yl)amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(sec-butyl)amino]-N-benzyl-N-[(5-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-butan-2-ylamino]-N-[(5-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(butan-2-yl)amino]-N-benzyl-N-[(5-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(sec-butyl)amino]-N-benzyl-N-[(5-methyl-2-thienyl)methyl]acetamide Formula: C30H41N3O2S MolecularWeight: 507.73044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41N3O2S/c1-4-21(2)33(29(35)31-30-15-24-12-25(16-30)14-26(13-24)17-30)20-28(34)32(18-23-8-6-5-7-9-23)19-27-11-10-22(3)36-27/h5-11,21,24-26H,4,12-20H2,1-3H3,(H,31,35)