ethyl 2-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(2,4-dichlorophenoxy)butanoylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H24Cl2N2O4S2 MolecularWeight: 551.50506

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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=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H24Cl2N2O4S2/c1-3-32-24(31)22-21(16-8-5-4-6-9-16)15(2)35-23(22)29-25(34)28-20(30)10-7-13-33-19-12-11-17(26)14-18(19)27/h4-6,8-9,11-12,14H,3,7,10,13H2,1-2H3,(H2,28,29,30,34)