N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-5-bromanyl-2-methoxy-3-methyl-benzamide

Systemtic Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-5-bromanyl-2-methoxy-3-methyl-benzamide Openeye Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-[[3-(1H-benzimidazol-2-yl)anilino]-sulfanylidenemethyl]-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]thiocarbamoyl]-5-bromo-2-methoxy-3-methyl-benzamide Formula: C23H19BrN4O2S MolecularWeight: 495.39156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C23H19BrN4O2S/c1-13-10-15(24)12-17(20(13)30-2)22(29)28-23(31)25-16-7-5-6-14(11-16)21-26-18-8-3-4-9-19(18)27-21/h3-12H,1-2H3,(H,26,27)(H2,25,28,29,31)