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

Systemtic Name: N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-ethyl-1-oxohexyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(3-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(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O2S/c1-3-5-8-14(4-2)20(28)26-12-7-11-17(26)18(27)23-21-25-24-19(29-21)15-9-6-10-16(22)13-15/h6,9-10,13-14,17H,3-5,7-8,11-12H2,1-2H3,(H,23,25,27)