methyl 6-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[4-(2-furoyl)piperazine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CO2

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CO2

InChI

InChI=1S/C17H25N3O4S/c1-23-15(21)7-3-2-4-8-18-17(25)20-11-9-19(10-12-20)16(22)14-6-5-13-24-14/h5-6,13H,2-4,7-12H2,1H3,(H,18,25)