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

Systemtic Name: ethyl 2-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-bromo-4,6-difluoro-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-bromo-4,6-difluoroanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-bromo-4,6-difluorophenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-bromo-4,6-difluoro-phenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H15BrF2N2O2S2 MolecularWeight: 497.376106

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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=C(C=C3Br)F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrF2N2O2S2/c1-2-27-19(26)13-10-16(11-6-4-3-5-7-11)29-18(13)25-20(28)24-17-14(21)8-12(22)9-15(17)23/h3-10H,2H2,1H3,(H2,24,25,28)