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

Systemtic Name: ethyl 2-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(4-chlorophenoxy)butanoylthiocarbamoylamino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H25ClN2O4S2 MolecularWeight: 517.06

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN2O4S2/c1-3-31-24(30)22-20(17-8-6-16(2)7-9-17)15-34-23(22)28-25(33)27-21(29)5-4-14-32-19-12-10-18(26)11-13-19/h6-13,15H,3-5,14H2,1-2H3,(H2,27,28,29,33)