N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-octanoyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-octanoyl-pyrrolidine-2-carboxamide Openeye Name: 1-octanoyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide CAS Name: N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-(1-oxooctyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-1-octanoylpyrrolidine-2-carboxamide Traditional Name: 1-caprylyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Formula: C22H30N4O2S MolecularWeight: 414.5642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCCC1C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCC(=O)N1CCCC1C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H30N4O2S/c1-3-4-5-6-7-10-19(27)26-15-8-9-18(26)20(28)23-22-25-24-21(29-22)17-13-11-16(2)12-14-17/h11-14,18H,3-10,15H2,1-2H3,(H,23,25,28)