propyl 4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: propyl 4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: propyl 4-[[(E)-3-(5-methyl-2-furyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-(5-methyl-2-furyl)acryloyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(O2)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(O2)C

InChI

InChI=1S/C19H20N2O4S/c1-3-12-24-18(23)14-5-7-15(8-6-14)20-19(26)21-17(22)11-10-16-9-4-13(2)25-16/h4-11H,3,12H2,1-2H3,(H2,20,21,22,26)/b11-10+