N-[[3-(1H-benzimidazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[3-(1H-benzimidazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[3-(1H-benzimidazol-2-yl)-4-chloro-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[3-(1H-benzimidazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[3-(1H-benzimidazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C21H13ClN6OS2 MolecularWeight: 464.95052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC5=NSN=C5C=C4)Cl

InChI

InChI=1S/C21H13ClN6OS2/c22-14-7-6-12(10-13(14)19-24-15-3-1-2-4-16(15)25-19)23-21(30)26-20(29)11-5-8-17-18(9-11)28-31-27-17/h1-10H,(H,24,25)(H2,23,26,29,30)