5-tert-butyl-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyrazole-3-carboxamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide CAS Name: 5-tert-butyl-2-methyl-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 5-tert-butyl-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyrazole-3-carboxamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3)C

InChI

InChI=1S/C23H26N4O2S/c1-23(2,3)20-14-19(27(4)26-20)21(28)25-22(30)24-17-11-8-12-18(13-17)29-15-16-9-6-5-7-10-16/h5-14H,15H2,1-4H3,(H2,24,25,28,30)