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

Systemtic Name: ethyl 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-4-28-20(25)15-7-9-16(10-8-15)22-21(29)23-19(24)12-6-14-5-11-17(26-2)18(13-14)27-3/h5-13H,4H2,1-3H3,(H2,22,23,24,29)/b12-6+