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

Systemtic Name: 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid Openeye Name: 4-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]benzoic acid Formula: C15H12N2O4S MolecularWeight: 316.33178

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=COC(=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H12N2O4S/c18-13(8-7-12-2-1-9-21-12)17-15(22)16-11-5-3-10(4-6-11)14(19)20/h1-9H,(H,19,20)(H2,16,17,18,22)/b8-7+