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

Systemtic Name: ethyl 4-(2,4-dimethylphenyl)-2-(phenylcarbonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(benzoylcarbamothioylamino)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-4-(2,4-dimethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzoylcarbamothioylamino)-4-(2,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-4-(2,4-dimethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O3S2 MolecularWeight: 438.56238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S2/c1-4-28-22(27)19-18(17-11-10-14(2)12-15(17)3)13-30-21(19)25-23(29)24-20(26)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3,(H2,24,25,26,29)