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

Systemtic Name: (E)-N-[5-(2-pyrrolidin-1-ylethylamino)-1,3,4-thiadiazol-2-yl]octadec-9-enamide Openeye Name: (E)-N-[5-(2-pyrrolidin-1-ylethylamino)-1,3,4-thiadiazol-2-yl]octadec-9-enamide CAS Name: (E)-N-[5-[2-(1-pyrrolidinyl)ethylamino]-1,3,4-thiadiazol-2-yl]-9-octadecenamide IUPAC Name: (E)-N-[5-(2-pyrrolidin-1-ylethylamino)-1,3,4-thiadiazol-2-yl]octadec-9-enamide Traditional Name: (E)-N-[5-(2-pyrrolidinoethylamino)-1,3,4-thiadiazol-2-yl]octadec-9-enamide Formula: C26H47N5OS MolecularWeight: 477.74928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=NN=C(S1)NCCN2CCCC2

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=NN=C(S1)NCCN2CCCC2

InChI

InChI=1S/C26H47N5OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(32)28-26-30-29-25(33-26)27-20-23-31-21-17-18-22-31/h9-10H,2-8,11-23H2,1H3,(H,27,29)(H,28,30,32)/b10-9+