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

Systemtic Name: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-ethyl-1-oxohexyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide Formula: C21H27ClN4O2S MolecularWeight: 434.98268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCCC1C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC(CC)C(=O)N1CCCC1C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN4O2S/c1-3-5-7-14(4-2)20(28)26-13-6-8-17(26)18(27)23-21-25-24-19(29-21)15-9-11-16(22)12-10-15/h9-12,14,17H,3-8,13H2,1-2H3,(H,23,25,27)