2-[(3-bromophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nicotinamide Formula: C22H19BrN2O3S MolecularWeight: 471.36686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=C(N=CC=C3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=C(N=CC=C3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H19BrN2O3S/c23-16-6-3-5-15(11-16)14-29-22-18(7-4-10-24-22)21(26)25-12-17-13-27-19-8-1-2-9-20(19)28-17/h1-11,17H,12-14H2,(H,25,26)