methyl 2-(2-morpholin-4-ylethylcarbamothioyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(2-morpholin-4-ylethylcarbamothioyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(2-morpholinoethylcarbamothioyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-morpholin-4-ylethylcarbamothioyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-morpholinoethylthiocarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=S)NCCN3CCOCC3

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CN1C(=S)NCCN3CCOCC3

InChI

InChI=1S/C18H25N3O3S/c1-23-17(22)16-12-14-4-2-3-5-15(14)13-21(16)18(25)19-6-7-20-8-10-24-11-9-20/h2-5,16H,6-13H2,1H3,(H,19,25)