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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2OC

InChI

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