ethyl 4-(4-bromophenyl)-2-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-(2,5-dimethylphenoxy)acetyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C24H23BrN2O4S2 MolecularWeight: 547.48442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=S)NC(=O)COC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=S)NC(=O)COC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C24H23BrN2O4S2/c1-4-30-23(29)21-18(16-7-9-17(25)10-8-16)13-33-22(21)27-24(32)26-20(28)12-31-19-11-14(2)5-6-15(19)3/h5-11,13H,4,12H2,1-3H3,(H2,26,27,28,32)