diethyl 3-methyl-5-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[1-(p-tolylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[1-[(4-methylphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[1-(4-methylbenzyl)pyrazol-4-yl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H26N4O4S2 MolecularWeight: 486.60694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C23H26N4O4S2/c1-5-30-21(28)18-15(4)19(22(29)31-6-2)33-20(18)26-23(32)25-17-11-24-27(13-17)12-16-9-7-14(3)8-10-16/h7-11,13H,5-6,12H2,1-4H3,(H2,25,26,32)