N-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]adamantane-1-carboxamide Formula: C28H34N2O4S MolecularWeight: 494.64556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CS6)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CS6)OC

InChI

InChI=1S/C28H34N2O4S/c1-33-22-11-20-5-6-30(26(24-4-3-7-35-24)21(20)12-23(22)34-2)25(31)16-29-27(32)28-13-17-8-18(14-28)10-19(9-17)15-28/h3-4,7,11-12,17-19,26H,5-6,8-10,13-16H2,1-2H3,(H,29,32)