3-(1,3-benzodioxol-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(3-pyridinylmethylthio)phenyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(3-pyridylmethylthio)phenyl]propionamide Formula: C22H20N2O3S MolecularWeight: 392.4708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C22H20N2O3S/c25-22(10-4-16-3-9-20-21(12-16)27-15-26-20)24-18-5-7-19(8-6-18)28-14-17-2-1-11-23-13-17/h1-3,5-9,11-13H,4,10,14-15H2,(H,24,25)