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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-5-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-5-keto-1-[3-(trifluoromethyl)benzyl]pyrrolidine-3-carboxamide Formula: C20H16F3N3O2S MolecularWeight: 419.42015

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC(=CC=C2)C(F)(F)F)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(CN(C1=O)CC2=CC(=CC=C2)C(F)(F)F)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H16F3N3O2S/c21-20(22,23)14-5-3-4-12(8-14)10-26-11-13(9-17(26)27)18(28)25-19-24-15-6-1-2-7-16(15)29-19/h1-8,13H,9-11H2,(H,24,25,28)