methyl 5-[[4-[(4-ethoxy-4-oxidanylidene-butyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(4-ethoxy-4-oxidanylidene-butyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(4-ethoxy-4-oxo-butyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[(4-ethoxy-4-oxobutyl)amino]-sulfanylidenemethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(4-ethoxy-4-oxobutyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(4-ethoxy-4-keto-butyl)thiocarbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)N1CCCN(CC1)CC2=CC=C(O2)C(=O)OC

Isomeric SMILES

CCOC(=O)CCCNC(=S)N1CCCN(CC1)CC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C19H29N3O5S/c1-3-26-17(23)6-4-9-20-19(28)22-11-5-10-21(12-13-22)14-15-7-8-16(27-15)18(24)25-2/h7-8H,3-6,9-14H2,1-2H3,(H,20,28)