ethyl 2-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-bromo-4,6-difluoro-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-bromo-4,6-difluoroanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-bromo-4,6-difluorophenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-bromo-4,6-difluoro-phenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H17BrF2N2O2S2 MolecularWeight: 511.402686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(C=C(C=C3Br)F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(C=C(C=C3Br)F)F

InChI

InChI=1S/C21H17BrF2N2O2S2/c1-3-28-20(27)17-16(12-7-5-4-6-8-12)11(2)30-19(17)26-21(29)25-18-14(22)9-13(23)10-15(18)24/h4-10H,3H2,1-2H3,(H2,25,26,29)