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

Systemtic Name: methyl 2-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(2-furoyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C18H19N3O4S/c1-24-17(23)13-5-2-3-6-14(13)19-18(26)21-10-8-20(9-11-21)16(22)15-7-4-12-25-15/h2-7,12H,8-11H2,1H3,(H,19,26)