4-methoxy-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid

Systemtic Name: 4-methoxy-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid Openeye Name: 4-methoxy-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid CAS Name: 4-methoxy-3-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid Traditional Name: 4-methoxy-3-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzoic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H16N2O4S/c1-24-15-9-8-13(17(22)23)11-14(15)19-18(25)20-16(21)10-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,22,23)(H2,19,20,21,25)/b10-7+