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

Systemtic Name: ethyl 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-phenylacryloyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S/c1-2-24-18(23)15-9-11-16(12-10-15)20-19(25)21-17(22)13-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H2,20,21,22,25)/b13-8+