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

Systemtic Name: 3-methyl-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid Openeye Name: 3-methyl-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid CAS Name: 3-methyl-4-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoic acid Traditional Name: 3-methyl-4-[[(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(=C1)C(=O)O)NC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S/c1-12-11-14(17(22)23)8-9-15(12)19-18(24)20-16(21)10-7-13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23)(H2,19,20,21,24)/b10-7+