butyl 4-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoate Openeye Name: butyl 4-[3-(2-furyl)prop-2-enoylcarbamothioylamino]benzoate CAS Name: 4-[[[[3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoate Traditional Name: 4-[[3-(2-furyl)acryloyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CO2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CO2

InChI

InChI=1S/C19H20N2O4S/c1-2-3-12-25-18(23)14-6-8-15(9-7-14)20-19(26)21-17(22)11-10-16-5-4-13-24-16/h4-11,13H,2-3,12H2,1H3,(H2,20,21,22,26)