N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-6H-1,3,4-thiadiazin-5-yl]phenyl]propanamide

Systemtic Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-6H-1,3,4-thiadiazin-5-yl]phenyl]propanamide Openeye Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-6H-1,3,4-thiadiazin-5-yl]phenyl]propanamide CAS Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-6H-1,3,4-thiadiazin-5-yl]phenyl]propanamide IUPAC Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-6H-1,3,4-thiadiazin-5-yl]phenyl]propanamide Traditional Name: N-[4-[2-(piperonylamino)-6H-1,3,4-thiadiazin-5-yl]phenyl]propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C2=NN=C(SC2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C2=NN=C(SC2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O3S/c1-2-19(25)22-15-6-4-14(5-7-15)16-11-28-20(24-23-16)21-10-13-3-8-17-18(9-13)27-12-26-17/h3-9H,2,10-12H2,1H3,(H,21,24)(H,22,25)