4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2,5-dimethoxyphenyl)thiocarbamoyl]benzamide Formula: C20H19BrN4O3S MolecularWeight: 475.35886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O3S/c1-27-16-7-8-18(28-2)17(9-16)23-20(29)24-19(26)14-5-3-13(4-6-14)11-25-12-15(21)10-22-25/h3-10,12H,11H2,1-2H3,(H2,23,24,26,29)