N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-benzylsulfanylbenzimidazol-1-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(phenylmethylthio)-1-benzimidazolyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-benzylsulfanylbenzimidazol-1-yl)propanamide Traditional Name: 2-[2-(benzylthio)benzimidazol-1-yl]-N-piperonyl-propionamide Formula: C25H23N3O3S MolecularWeight: 445.53342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3C4=CC=CC=C4N=C3SCC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3C4=CC=CC=C4N=C3SCC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3S/c1-17(24(29)26-14-19-11-12-22-23(13-19)31-16-30-22)28-21-10-6-5-9-20(21)27-25(28)32-15-18-7-3-2-4-8-18/h2-13,17H,14-16H2,1H3,(H,26,29)