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

Systemtic Name: N-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-butyl-adamantane-1-carboxamide CAS Name: N-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-butyladamantane-1-carboxamide Traditional Name: N-[2-[benzyl(2-thenyl)amino]-2-keto-ethyl]-N-butyl-adamantane-1-carboxamide Formula: C29H38N2O2S MolecularWeight: 478.68922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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