methyl 2-[[2-[bis(fluoranyl)methoxy]-4-methyl-phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-[bis(fluoranyl)methoxy]-4-methyl-phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(difluoromethoxy)-4-methyl-phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(difluoromethoxy)-4-methylanilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(difluoromethoxy)-4-methylphenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(difluoromethoxy)-4-methyl-phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H18F2N2O3S2 MolecularWeight: 448.506026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)OC(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)OC(F)F

InChI

InChI=1S/C21H18F2N2O3S2/c1-12-8-9-15(16(10-12)28-20(22)23)24-21(29)25-18-14(19(26)27-2)11-17(30-18)13-6-4-3-5-7-13/h3-11,20H,1-2H3,(H2,24,25,29)