methyl 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)OC

InChI

InChI=1S/C20H20N2O5S/c1-25-16-10-4-13(12-17(16)26-2)5-11-18(23)22-20(28)21-15-8-6-14(7-9-15)19(24)27-3/h4-12H,1-3H3,(H2,21,22,23,28)/b11-5+