ethyl 2-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(4-chlorophenoxy)butanoylthiocarbamoylamino]-5-methyl-4-phenyl-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=CC=C2)C)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN2O4S2/c1-3-31-24(30)22-21(17-8-5-4-6-9-17)16(2)34-23(22)28-25(33)27-20(29)10-7-15-32-19-13-11-18(26)12-14-19/h4-6,8-9,11-14H,3,7,10,15H2,1-2H3,(H2,27,28,29,33)