diethyl 3-methyl-5-[[2-(phenylcarbonyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[2-(phenylcarbonyl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(2-benzoylphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2-benzoylanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-benzoylphenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2-benzoylphenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H24N2O5S2 MolecularWeight: 496.59846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H24N2O5S2/c1-4-31-23(29)19-15(3)21(24(30)32-5-2)34-22(19)27-25(33)26-18-14-10-9-13-17(18)20(28)16-11-7-6-8-12-16/h6-14H,4-5H2,1-3H3,(H2,26,27,33)