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

Systemtic Name: 1-heptanoyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-heptanoyl-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-oxoheptyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-heptanoyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Traditional Name: 1-enanthyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-3-4-5-6-9-18(26)25-14-7-8-17(25)19(27)22-21-24-23-20(28-21)16-12-10-15(2)11-13-16/h10-13,17H,3-9,14H2,1-2H3,(H,22,24,27)