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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-octanoyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-octanoyl-pyrrolidine-2-carboxamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(1-oxooctyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-octanoylpyrrolidine-2-carboxamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-caprylyl-pyrrolidine-2-carboxamide Formula: C21H27BrN4O2S MolecularWeight: 479.43368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCCC1C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCCCC(=O)N1CCCC1C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H27BrN4O2S/c1-2-3-4-5-6-9-18(27)26-14-7-8-17(26)19(28)23-21-25-24-20(29-21)15-10-12-16(22)13-11-15/h10-13,17H,2-9,14H2,1H3,(H,23,25,28)