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

Systemtic Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-(1H-benzimidazol-2-yl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[3-(1H-benzimidazol-2-yl)phenyl]thiocarbamoyl]-piperonylamide Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H16N4O3S/c27-21(14-8-9-18-19(11-14)29-12-28-18)26-22(30)23-15-5-3-4-13(10-15)20-24-16-6-1-2-7-17(16)25-20/h1-11H,12H2,(H,24,25)(H2,23,26,27,30)