[4-[(diphenylmethyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[(diphenylmethyl)carbamothioylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-(benzhydrylcarbamothioylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-(benzhydrylcarbamothioylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-(benzhydrylthiocarbamoylamino)pyrazol-1-yl]methyl ester Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O2S/c1-23(2,3)21(28)29-16-27-15-19(14-24-27)25-22(30)26-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15,20H,16H2,1-3H3,(H2,25,26,30)