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

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonyl)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(1,3-benzodioxole-5-carbonyl)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide CAS Name: 1-[1,3-benzodioxol-5-yl(oxo)methyl]-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(1,3-benzodioxole-5-carbonyl)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Traditional Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-piperonyloyl-pyrrolidine-2-carboxamide Formula: C21H17BrN4O4S MolecularWeight: 501.35308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4=NN=C(S4)C5=CC(=CC=C5)Br

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4=NN=C(S4)C5=CC(=CC=C5)Br

InChI

InChI=1S/C21H17BrN4O4S/c22-14-4-1-3-12(9-14)19-24-25-21(31-19)23-18(27)15-5-2-8-26(15)20(28)13-6-7-16-17(10-13)30-11-29-16/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,23,25,27)