4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(3-methoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(3-methoxyphenyl)carbamothioyl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-methoxyphenyl)carbamothioyl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[(3-methoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-methoxyphenyl)carbamothioyl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-methoxyphenyl)thiocarbamoyl]benzamide Formula: C19H17BrN4O2S MolecularWeight: 445.33288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C19H17BrN4O2S/c1-26-17-4-2-3-16(9-17)22-19(27)23-18(25)14-7-5-13(6-8-14)11-24-12-15(20)10-21-24/h2-10,12H,11H2,1H3,(H2,22,23,25,27)