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

Systemtic Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[4-(1H-benzimidazol-2-yl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C21H14N6OS2 MolecularWeight: 430.50546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N6OS2/c28-20(13-7-10-17-18(11-13)27-30-26-17)25-21(29)22-14-8-5-12(6-9-14)19-23-15-3-1-2-4-16(15)24-19/h1-11H,(H,23,24)(H2,22,25,28,29)