N-[[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]carbamothioyl]benzamide

Systemtic Name: N-[[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]carbamothioyl]benzamide Openeye Name: N-[[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]carbamothioyl]benzamide CAS Name: N-[[[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]carbamothioyl]benzamide Traditional Name: N-[[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]thiocarbamoyl]benzamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NN2)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NN2)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS/c1-21(2,3)16-11-9-14(10-12-16)17-13-18(25-24-17)22-20(27)23-19(26)15-7-5-4-6-8-15/h4-13H,1-3H3,(H3,22,23,24,25,26,27)