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

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(3-hydroxyphenyl)carbamothioyl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-hydroxyphenyl)carbamothioyl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[(3-hydroxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-hydroxyphenyl)carbamothioyl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-hydroxyphenyl)thiocarbamoyl]benzamide Formula: C18H15BrN4O2S MolecularWeight: 431.3063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN4O2S/c19-14-9-20-23(11-14)10-12-4-6-13(7-5-12)17(25)22-18(26)21-15-2-1-3-16(24)8-15/h1-9,11,24H,10H2,(H2,21,22,25,26)