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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-1-propyl-benzimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-1-propyl-2-benzimidazolyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: 2-[(5-chloro-1-propyl-benzimidazol-2-yl)thio]-N-piperonyl-propionamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22ClN3O3S/c1-3-8-25-17-6-5-15(22)10-16(17)24-21(25)29-13(2)20(26)23-11-14-4-7-18-19(9-14)28-12-27-18/h4-7,9-10,13H,3,8,11-12H2,1-2H3,(H,23,26)