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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=NN=C(S1)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=NN=C(S1)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C28H42N4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(33)30-28-32-31-27(36-28)29-21-23-18-19-24-25(20-23)35-22-34-24/h9-10,18-20H,2-8,11-17,21-22H2,1H3,(H,29,31)(H,30,32,33)/b10-9+