methyl 5-[[4-(2-morpholin-4-ylethylcarbamothioyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(2-morpholin-4-ylethylcarbamothioyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-morpholinoethylcarbamothioyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-morpholin-4-ylethylcarbamothioyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-morpholinoethylthiocarbamoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H30N4O4S MolecularWeight: 410.5309

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=S)NCCN3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=S)NCCN3CCOCC3

InChI

InChI=1S/C19H30N4O4S/c1-25-18(24)17-4-3-16(27-17)15-22-6-2-7-23(10-9-22)19(28)20-5-8-21-11-13-26-14-12-21/h3-4H,2,5-15H2,1H3,(H,20,28)