2-bromanyl-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]thiocarbamoyl]benzamide Formula: C20H19BrN4OS MolecularWeight: 443.36006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C(=NN1)C)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H19BrN4OS/c1-12-17(13(2)25-24-12)11-14-7-9-15(10-8-14)22-20(27)23-19(26)16-5-3-4-6-18(16)21/h3-10H,11H2,1-2H3,(H,24,25)(H2,22,23,26,27)