N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-4-[(4-bromanylpyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-4-[(4-bromanylpyrazol-1-yl)methyl]benzamide Openeye Name: N-[(2-bromo-4-methyl-phenyl)carbamothioyl]-4-[(4-bromopyrazol-1-yl)methyl]benzamide CAS Name: N-[(2-bromo-4-methylanilino)-sulfanylidenemethyl]-4-[(4-bromo-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[(2-bromo-4-methylphenyl)carbamothioyl]-4-[(4-bromopyrazol-1-yl)methyl]benzamide Traditional Name: N-[(2-bromo-4-methyl-phenyl)thiocarbamoyl]-4-[(4-bromopyrazol-1-yl)methyl]benzamide Formula: C19H16Br2N4OS MolecularWeight: 508.22954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br)Br

InChI

InChI=1S/C19H16Br2N4OS/c1-12-2-7-17(16(21)8-12)23-19(27)24-18(26)14-5-3-13(4-6-14)10-25-11-15(20)9-22-25/h2-9,11H,10H2,1H3,(H2,23,24,26,27)