ethyl 2-[(4-fluorophenyl)carbonylcarbamothioylamino]-5-methyl-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-fluorophenyl)carbonylcarbamothioylamino]-5-methyl-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-fluorobenzoyl)carbamothioylamino]-5-methyl-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[[[(4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-fluorobenzoyl)carbamothioylamino]-5-methyl-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[(4-fluorobenzoyl)thiocarbamoylamino]-5-methyl-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H17FN2O3S3 MolecularWeight: 448.553983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CS2)C)NC(=S)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CS2)C)NC(=S)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN2O3S3/c1-3-26-19(25)16-15(14-5-4-10-28-14)11(2)29-18(16)23-20(27)22-17(24)12-6-8-13(21)9-7-12/h4-10H,3H2,1-2H3,(H2,22,23,24,27)