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

Systemtic Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-octanoyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-octanoyl-pyrrolidine-2-carboxamide CAS Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(1-oxooctyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-octanoylpyrrolidine-2-carboxamide Traditional Name: N-[5-(3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN4O2S/c1-2-3-4-5-6-12-18(27)26-13-8-11-17(26)19(28)23-21-25-24-20(29-21)15-9-7-10-16(22)14-15/h7,9-10,14,17H,2-6,8,11-13H2,1H3,(H,23,25,28)