ethyl 4-(4-bromophenyl)-2-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[4-(4-chlorophenoxy)butanoylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C24H22BrClN2O4S2 MolecularWeight: 581.92948

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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)CCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H22BrClN2O4S2/c1-2-31-23(30)21-19(15-5-7-16(25)8-6-15)14-34-22(21)28-24(33)27-20(29)4-3-13-32-18-11-9-17(26)10-12-18/h5-12,14H,2-4,13H2,1H3,(H2,27,28,29,33)