N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chlorophenyl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chlorophenyl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chlorophenyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chlorophenyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chlorophenyl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: 2-[(2-chlorobenzyl)thio]-N-piperonyl-nicotinamide Formula: C21H17ClN2O3S MolecularWeight: 412.88928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N=CC=C3)SCC4=CC=CC=C4Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N=CC=C3)SCC4=CC=CC=C4Cl

InChI

InChI=1S/C21H17ClN2O3S/c22-17-6-2-1-4-15(17)12-28-21-16(5-3-9-23-21)20(25)24-11-14-7-8-18-19(10-14)27-13-26-18/h1-10H,11-13H2,(H,24,25)