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

Systemtic Name: methyl 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H20N2O4S/c1-3-26-17-11-4-14(5-12-17)6-13-18(23)22-20(27)21-16-9-7-15(8-10-16)19(24)25-2/h4-13H,3H2,1-2H3,(H2,21,22,23,27)/b13-6+