ethyl 4-(3,4-dimethylphenyl)-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-(4-phenoxybutanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-(4-phenoxybutanoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C26H28N2O4S2 MolecularWeight: 496.64152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O4S2/c1-4-31-25(30)23-21(19-13-12-17(2)18(3)15-19)16-34-24(23)28-26(33)27-22(29)11-8-14-32-20-9-6-5-7-10-20/h5-7,9-10,12-13,15-16H,4,8,11,14H2,1-3H3,(H2,27,28,29,33)