ethyl 4-(4-chlorophenyl)-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-(4-phenoxybutanoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C24H23ClN2O4S2 MolecularWeight: 503.03342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN2O4S2/c1-2-30-23(29)21-19(16-10-12-17(25)13-11-16)15-33-22(21)27-24(32)26-20(28)9-6-14-31-18-7-4-3-5-8-18/h3-5,7-8,10-13,15H,2,6,9,14H2,1H3,(H2,26,27,28,32)