N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-4-bromanyl-benzamide

Systemtic Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-4-bromanyl-benzamide Openeye Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-4-bromo-benzamide CAS Name: N-[[3-(1H-benzimidazol-2-yl)anilino]-sulfanylidenemethyl]-4-bromobenzamide IUPAC Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide Traditional Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]thiocarbamoyl]-4-bromo-benzamide Formula: C21H15BrN4OS MolecularWeight: 451.339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15BrN4OS/c22-15-10-8-13(9-11-15)20(27)26-21(28)23-16-5-3-4-14(12-16)19-24-17-6-1-2-7-18(17)25-19/h1-12H,(H,24,25)(H2,23,26,27,28)