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

Systemtic Name: methyl 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S/c1-23-17(22)14-8-10-15(11-9-14)19-18(24)20-16(21)12-7-13-5-3-2-4-6-13/h2-12H,1H3,(H2,19,20,21,24)/b12-7+