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

Systemtic Name: 3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid Openeye Name: 3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[(E)-3-(4-fluorophenyl)acryloyl]thiocarbamoylamino]benzoic acid Formula: C17H13FN2O3S MolecularWeight: 344.360123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H13FN2O3S/c18-13-7-4-11(5-8-13)6-9-15(21)20-17(24)19-14-3-1-2-12(10-14)16(22)23/h1-10H,(H,22,23)(H2,19,20,21,24)/b9-6+