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

Systemtic Name: 2-[1-adamantylcarbamoyl(propan-2-yl)amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(isopropyl)amino]-N-benzyl-N-[(5-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-propan-2-ylamino]-N-[(5-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(propan-2-yl)amino]-N-benzyl-N-[(5-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[1-adamantylcarbamoyl(isopropyl)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:

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(C(C)C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(C(C)C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

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