N-(1,3-benzothiazol-2-ylmethyl)-5-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-5-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-5-keto-1-[3-(trifluoromethyl)benzyl]pyrrolidine-3-carboxamide Formula: C21H18F3N3O2S MolecularWeight: 433.44673

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC(=CC=C2)C(F)(F)F)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(CN(C1=O)CC2=CC(=CC=C2)C(F)(F)F)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18F3N3O2S/c22-21(23,24)15-5-3-4-13(8-15)11-27-12-14(9-19(27)28)20(29)25-10-18-26-16-6-1-2-7-17(16)30-18/h1-8,14H,9-12H2,(H,25,29)