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

Systemtic Name: methyl 5-[[4-(furan-2-ylcarbonylcarbamothioyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(furan-2-carbonylcarbamothioyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(furan-2-carbonylcarbamothioyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-furoylthiocarbamoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C18H21N3O5S/c1-24-17(23)15-6-5-13(26-15)12-20-7-3-8-21(10-9-20)18(27)19-16(22)14-4-2-11-25-14/h2,4-6,11H,3,7-10,12H2,1H3,(H,19,22,27)