N-(1,3-benzodioxol-5-ylmethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-quinolylsulfanylmethyl)benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-quinolinylthio)methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide Traditional Name: N-piperonyl-4-[(2-quinolylthio)methyl]benzamide Formula: C25H20N2O3S MolecularWeight: 428.5029

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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=CC=CC=C5C=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H20N2O3S/c28-25(26-14-18-7-11-22-23(13-18)30-16-29-22)20-8-5-17(6-9-20)15-31-24-12-10-19-3-1-2-4-21(19)27-24/h1-13H,14-16H2,(H,26,28)