ethyl 4-(4-chlorophenyl)-2-[(4-fluorophenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[(4-fluorophenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[(4-fluorobenzoyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[[[(4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[(4-fluorobenzoyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[(4-fluorobenzoyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H16ClFN2O3S2 MolecularWeight: 462.944743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H16ClFN2O3S2/c1-2-28-20(27)17-16(12-3-7-14(22)8-4-12)11-30-19(17)25-21(29)24-18(26)13-5-9-15(23)10-6-13/h3-11H,2H2,1H3,(H2,24,25,26,29)