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

Systemtic Name: methyl 5-[[4-[2-(dimethylcarbamothioylsulfanyl)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(dimethylcarbamothioylsulfanyl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[2-[[dimethylamino(sulfanylidene)methyl]thio]-1-oxoethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(dimethylcarbamothioylsulfanyl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-(dimethylthiocarbamoylthio)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SCC(=O)N1CCCN(CC1)CC2=CC=C(O2)C(=O)OC

Isomeric SMILES

CN(C)C(=S)SCC(=O)N1CCCN(CC1)CC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C17H25N3O4S2/c1-18(2)17(25)26-12-15(21)20-8-4-7-19(9-10-20)11-13-5-6-14(24-13)16(22)23-3/h5-6H,4,7-12H2,1-3H3