N-(1,3-benzodioxol-5-ylmethyl)-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3H-imidazo[4,5-c]pyridin-2-ylthio)methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide Traditional Name: 4-[(3H-imidazo[4,5-c]pyridin-2-ylthio)methyl]-N-piperonyl-benzamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)CSC4=NC5=C(N4)C=NC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)CSC4=NC5=C(N4)C=NC=C5

InChI

InChI=1S/C22H18N4O3S/c27-21(24-10-15-3-6-19-20(9-15)29-13-28-19)16-4-1-14(2-5-16)12-30-22-25-17-7-8-23-11-18(17)26-22/h1-9,11H,10,12-13H2,(H,24,27)(H,25,26)