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

Systemtic Name: N-[[5-(1H-benzimidazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[5-(1H-benzimidazol-2-yl)-2-chloro-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[5-(1H-benzimidazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[5-(1H-benzimidazol-2-yl)-2-chloro-phenyl]thiocarbamoyl]-piperonylamide Formula: C22H15ClN4O3S MolecularWeight: 450.8975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClN4O3S/c23-14-7-5-12(20-24-15-3-1-2-4-16(15)25-20)9-17(14)26-22(31)27-21(28)13-6-8-18-19(10-13)30-11-29-18/h1-10H,11H2,(H,24,25)(H2,26,27,28,31)