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

Systemtic Name: ethyl 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-3-26-18-12-5-15(6-13-18)7-14-19(24)23-21(28)22-17-10-8-16(9-11-17)20(25)27-4-2/h5-14H,3-4H2,1-2H3,(H2,22,23,24,28)/b14-7+