methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[1-(1-naphthylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[[1-(1-naphthalenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[[1-(1-naphthylmethyl)pyrazol-4-yl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H25N5O3S2 MolecularWeight: 507.6277

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O3S2/c1-15-20(24(32)33-4)22(35-21(15)23(31)29(2)3)28-25(34)27-18-12-26-30(14-18)13-17-10-7-9-16-8-5-6-11-19(16)17/h5-12,14H,13H2,1-4H3,(H2,27,28,34)