4-bromanyl-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[sulfanylidene-[4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]anilino]methyl]benzamide IUPAC Name: 4-bromo-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]thiocarbamoyl]benzamide Formula: C21H21BrN4OS MolecularWeight: 457.38664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NN1C)C)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4OS/c1-13-19(14(2)26(3)25-13)12-15-4-10-18(11-5-15)23-21(28)24-20(27)16-6-8-17(22)9-7-16/h4-11H,12H2,1-3H3,(H2,23,24,27,28)