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

Systemtic Name: methyl 2-[[2,4-bis(fluoranyl)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2,4-difluorophenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2,4-difluoroanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2,4-difluorophenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2,4-difluorophenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H16F2N2O2S2 MolecularWeight: 418.480046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=C(C=C(C=C2)F)F)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=C(C=C(C=C2)F)F)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H16F2N2O2S2/c1-11-16(12-6-4-3-5-7-12)17(19(25)26-2)18(28-11)24-20(27)23-15-9-8-13(21)10-14(15)22/h3-10H,1-2H3,(H2,23,24,27)