(E)-2-(1,3-benzodioxol-5-ylmethylamino)-18-(1,3,4-thiadiazol-2-yl)octadec-9-enamide

Systemtic Name: (E)-2-(1,3-benzodioxol-5-ylmethylamino)-18-(1,3,4-thiadiazol-2-yl)octadec-9-enamide Openeye Name: (E)-2-(1,3-benzodioxol-5-ylmethylamino)-18-(1,3,4-thiadiazol-2-yl)octadec-9-enamide CAS Name: (E)-2-(1,3-benzodioxol-5-ylmethylamino)-18-(1,3,4-thiadiazol-2-yl)-9-octadecenamide IUPAC Name: (E)-2-(1,3-benzodioxol-5-ylmethylamino)-18-(1,3,4-thiadiazol-2-yl)octadec-9-enamide Traditional Name: (E)-2-(piperonylamino)-18-(1,3,4-thiadiazol-2-yl)octadec-9-enamide Formula: C28H42N4O3S MolecularWeight: 514.72308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(CCCCCCC=CCCCCCCCCC3=NN=CS3)C(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(CCCCCC/C=C/CCCCCCCCC3=NN=CS3)C(=O)N

InChI

InChI=1S/C28H42N4O3S/c29-28(33)24(30-20-23-17-18-25-26(19-23)35-22-34-25)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-27-32-31-21-36-27/h1,3,17-19,21,24,30H,2,4-16,20,22H2,(H2,29,33)/b3-1+