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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-octanoyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-octanoyl-pyrrolidine-2-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(1-oxooctyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-octanoylpyrrolidine-2-carboxamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-caprylyl-pyrrolidine-2-carboxamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCCC1C(=O)NC2=NN=C(S2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCCC(=O)N1CCCC1C(=O)NC2=NN=C(S2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H28N4O4S/c1-2-3-4-5-6-9-19(27)26-12-7-8-16(26)20(28)23-22-25-24-21(31-22)15-10-11-17-18(13-15)30-14-29-17/h10-11,13,16H,2-9,12,14H2,1H3,(H,23,25,28)