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

Systemtic Name: N-[[3-(1H-benzimidazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-2-chloranyl-benzamide Openeye Name: N-[[3-(1H-benzimidazol-2-yl)-4-chloro-phenyl]carbamothioyl]-2-chloro-benzamide CAS Name: N-[[3-(1H-benzimidazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]-2-chlorobenzamide IUPAC Name: N-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide Traditional Name: N-[[3-(1H-benzimidazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]-2-chloro-benzamide Formula: C21H14Cl2N4OS MolecularWeight: 441.33306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4N3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4N3)Cl

InChI

InChI=1S/C21H14Cl2N4OS/c22-15-6-2-1-5-13(15)20(28)27-21(29)24-12-9-10-16(23)14(11-12)19-25-17-7-3-4-8-18(17)26-19/h1-11H,(H,25,26)(H2,24,27,28,29)