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

Systemtic Name: N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-1-hexanoyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-1-hexanoyl-pyrrolidine-2-carboxamide CAS Name: N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-1-(1-oxohexyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-1-hexanoylpyrrolidine-2-carboxamide Traditional Name: 1-caproyl-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCCC1C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCCCC(=O)N1CCCC1C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H29N5O2S/c1-4-5-6-9-18(27)26-14-7-8-17(26)19(28)22-21-24-23-20(29-21)15-10-12-16(13-11-15)25(2)3/h10-13,17H,4-9,14H2,1-3H3,(H,22,24,28)