ethyl 2-[(2-fluoranyl-5-methyl-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-fluoranyl-5-methyl-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-fluoro-5-methyl-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-fluoro-5-methylanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-fluoro-5-methylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-fluoro-5-methyl-phenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H19FN2O2S2 MolecularWeight: 414.516163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)C)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)C)F

InChI

InChI=1S/C21H19FN2O2S2/c1-3-26-20(25)15-12-18(14-7-5-4-6-8-14)28-19(15)24-21(27)23-17-11-13(2)9-10-16(17)22/h4-12H,3H2,1-2H3,(H2,23,24,27)