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

Systemtic Name: methyl 4-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(2-furoyl)piperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4S/c1-21-13(19)5-2-6-16-15(23)18-9-7-17(8-10-18)14(20)12-4-3-11-22-12/h3-4,11H,2,5-10H2,1H3,(H,16,23)