N-tert-butyl-N-[2-oxidanylidene-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]adamantane-1-carboxamide

Systemtic Name: N-tert-butyl-N-[2-oxidanylidene-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[benzyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-tert-butyl-adamantane-1-carboxamide CAS Name: N-tert-butyl-N-[2-oxo-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyladamantane-1-carboxamide Traditional Name: N-[2-[benzyl(2-thenyl)amino]-2-keto-ethyl]-N-tert-butyl-adamantane-1-carboxamide Formula: C29H38N2O2S MolecularWeight: 478.68922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CS2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CS2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H38N2O2S/c1-28(2,3)31(27(33)29-15-22-12-23(16-29)14-24(13-22)17-29)20-26(32)30(19-25-10-7-11-34-25)18-21-8-5-4-6-9-21/h4-11,22-24H,12-20H2,1-3H3