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

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

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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=C(C=C5)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN4O4S/c22-14-6-3-12(4-7-14)19-24-25-21(31-19)23-18(27)15-2-1-9-26(15)20(28)13-5-8-16-17(10-13)30-11-29-16/h3-8,10,15H,1-2,9,11H2,(H,23,25,27)