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

Systemtic Name: ethyl 2-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(2,4-dichlorophenoxy)butanoylthiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H22Cl2N2O4S2 MolecularWeight: 537.47848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22Cl2N2O4S2/c1-2-31-23(30)21-17(15-7-4-3-5-8-15)14-34-22(21)28-24(33)27-20(29)9-6-12-32-19-11-10-16(25)13-18(19)26/h3-5,7-8,10-11,13-14H,2,6,9,12H2,1H3,(H2,27,28,29,33)