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

Systemtic Name: 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid Openeye Name: 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]benzoic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H16N2O4S/c1-24-15-9-2-12(3-10-15)4-11-16(21)20-18(25)19-14-7-5-13(6-8-14)17(22)23/h2-11H,1H3,(H,22,23)(H2,19,20,21,25)/b11-4+