methyl 2-[[3,5-dimethyl-4-(naphthalen-1-ylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[3,5-dimethyl-4-(naphthalen-1-ylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[3,5-dimethyl-4-(1-naphthylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[3,5-dimethyl-4-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[3,5-dimethyl-4-(naphthalen-1-ylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[3,5-dimethyl-4-(1-naphthylthiocarbamoylamino)pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)OC)C)NC(=S)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2C(=O)OC)C)NC(=S)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H24N4O2S/c1-16-23(27-25(32)26-22-14-8-11-18-9-4-6-12-20(18)22)17(2)29(28-16)15-19-10-5-7-13-21(19)24(30)31-3/h4-14H,15H2,1-3H3,(H2,26,27,32)