3-methyl-2-oxidanyl-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid

Systemtic Name: 3-methyl-2-oxidanyl-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid Openeye Name: 2-hydroxy-3-methyl-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid CAS Name: 2-hydroxy-3-methyl-5-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-3-methyl-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid Traditional Name: 2-hydroxy-3-methyl-5-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzoic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2)C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C18H16N2O4S/c1-11-9-13(10-14(16(11)22)17(23)24)19-18(25)20-15(21)8-7-12-5-3-2-4-6-12/h2-10,22H,1H3,(H,23,24)(H2,19,20,21,25)/b8-7+