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

Systemtic Name: methyl 2-[[(E)-3-phenylprop-2-enyl]carbamothioylamino]benzoate Openeye Name: methyl 2-[[(E)-cinnamyl]carbamothioylamino]benzoate CAS Name: 2-[[[[(E)-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-phenylprop-2-enyl]carbamothioylamino]benzoate Traditional Name: 2-[[(E)-cinnamyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NCC=CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H18N2O2S/c1-22-17(21)15-11-5-6-12-16(15)20-18(23)19-13-7-10-14-8-3-2-4-9-14/h2-12H,13H2,1H3,(H2,19,20,23)/b10-7+