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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[[[4-(4-methylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[4-(4-methylphenoxy)butanoylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H25BrN2O4S2 MolecularWeight: 561.511

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN2O4S2/c1-3-31-24(30)22-20(17-8-10-18(26)11-9-17)15-34-23(22)28-25(33)27-21(29)5-4-14-32-19-12-6-16(2)7-13-19/h6-13,15H,3-5,14H2,1-2H3,(H2,27,28,29,33)