N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-1-propyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]-N-piperonyl-acetamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20ClN3O3S/c1-2-7-24-16-5-4-14(21)9-15(16)23-20(24)28-11-19(25)22-10-13-3-6-17-18(8-13)27-12-26-17/h3-6,8-9H,2,7,10-12H2,1H3,(H,22,25)