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

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(4-ethanoylphenyl)carbamothioyl]benzamide Openeye Name: N-[(4-acetylphenyl)carbamothioyl]-4-[(4-bromopyrazol-1-yl)methyl]benzamide CAS Name: N-[(4-acetylanilino)-sulfanylidenemethyl]-4-[(4-bromo-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[(4-acetylphenyl)carbamothioyl]-4-[(4-bromopyrazol-1-yl)methyl]benzamide Traditional Name: N-[(4-acetylphenyl)thiocarbamoyl]-4-[(4-bromopyrazol-1-yl)methyl]benzamide Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN4O2S/c1-13(26)15-6-8-18(9-7-15)23-20(28)24-19(27)16-4-2-14(3-5-16)11-25-12-17(21)10-22-25/h2-10,12H,11H2,1H3,(H2,23,24,27,28)