N-(6-chloranyl-1,3-benzodioxol-5-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-chloranyl-1,3-benzodioxol-5-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(6-chloro-1,3-benzodioxol-5-yl)-2-[(1-phenylbenzimidazol-2-yl)thio]acetamide Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)NC(=O)CSC3=NC4=CC=CC=C4N3C5=CC=CC=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)NC(=O)CSC3=NC4=CC=CC=C4N3C5=CC=CC=C5)Cl

InChI

InChI=1S/C22H16ClN3O3S/c23-15-10-19-20(29-13-28-19)11-17(15)24-21(27)12-30-22-25-16-8-4-5-9-18(16)26(22)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,24,27)