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

Systemtic Name: propyl 4-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoate Openeye Name: propyl 4-[3-(2-furyl)prop-2-enoylcarbamothioylamino]benzoate CAS Name: 4-[[[[3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]benzoate Traditional Name: 4-[[3-(2-furyl)acryloyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-2-11-24-17(22)13-5-7-14(8-6-13)19-18(25)20-16(21)10-9-15-4-3-12-23-15/h3-10,12H,2,11H2,1H3,(H2,19,20,21,25)