N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(4-bromo-2,6-dimethyl-phenyl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]-4-phenyl-benzamide Formula: C22H19BrN2OS MolecularWeight: 439.36806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C)Br

InChI

InChI=1S/C22H19BrN2OS/c1-14-12-19(23)13-15(2)20(14)24-22(27)25-21(26)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H2,24,25,26,27)