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

Systemtic Name: 2-methyl-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate Openeye Name: 2-methyl-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate CAS Name: 2-methyl-3-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-methyl-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 2-methyl-3-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzoate Formula: C18H15N2O3S- MolecularWeight: 339.3883

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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)/p-1/b11-10+