dimethyl 3-methyl-5-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[1-(1-naphthylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[1-(1-naphthalenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[1-(1-naphthylmethyl)pyrazol-4-yl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C24H22N4O4S2 MolecularWeight: 494.58588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C24H22N4O4S2/c1-14-19(22(29)31-2)21(34-20(14)23(30)32-3)27-24(33)26-17-11-25-28(13-17)12-16-9-6-8-15-7-4-5-10-18(15)16/h4-11,13H,12H2,1-3H3,(H2,26,27,33)