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

Systemtic Name: ethyl 2-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(4-chlorophenoxy)butanoylthiocarbamoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H25ClN2O5S2 MolecularWeight: 533.0594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN2O5S2/c1-3-32-24(30)22-20(16-6-10-18(31-2)11-7-16)15-35-23(22)28-25(34)27-21(29)5-4-14-33-19-12-8-17(26)9-13-19/h6-13,15H,3-5,14H2,1-2H3,(H2,27,28,29,34)