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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(1-oxo-3-phenylpropyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-hydrocinnamoyl-pyrrolidine-2-carboxamide Formula: C22H21BrN4O2S MolecularWeight: 485.39674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(N(C1)C(=O)CCC2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrN4O2S/c23-17-11-9-16(10-12-17)21-25-26-22(30-21)24-20(29)18-7-4-14-27(18)19(28)13-8-15-5-2-1-3-6-15/h1-3,5-6,9-12,18H,4,7-8,13-14H2,(H,24,26,29)