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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(2-bromophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(2-bromobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-[(2-bromophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(2-bromobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(2-bromobenzoyl)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=CC=CC=C2Br)C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=CC=C2Br)C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5

InChI

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