3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid Openeye Name: 3-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]benzoic acid Formula: C15H12N2O4S MolecularWeight: 316.33178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2)C(=O)O

InChI

InChI=1S/C15H12N2O4S/c18-13(7-6-12-5-2-8-21-12)17-15(22)16-11-4-1-3-10(9-11)14(19)20/h1-9H,(H,19,20)(H2,16,17,18,22)/b7-6+