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

Systemtic Name: 2-methyl-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid Openeye Name: 2-methyl-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid CAS Name: 2-methyl-3-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid Traditional Name: 2-methyl-3-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzoic acid Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C=CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)/C=C/C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H16N2O3S/c1-12-14(17(22)23)8-5-9-15(12)19-18(24)20-16(21)11-10-13-6-3-2-4-7-13/h2-11H,1H3,(H,22,23)(H2,19,20,21,24)/b11-10+