N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(2-thioxo-3H-1,3-benzothiazol-6-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-1-[3-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(2-thioxo-3H-1,3-benzothiazol-6-yl)-1-[3-(trifluoromethyl)phenyl]isonipecotamide Formula: C20H18F3N3OS2 MolecularWeight: 437.50163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)NC(=S)S3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)NC(=S)S3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H18F3N3OS2/c21-20(22,23)13-2-1-3-15(10-13)26-8-6-12(7-9-26)18(27)24-14-4-5-16-17(11-14)29-19(28)25-16/h1-5,10-12H,6-9H2,(H,24,27)(H,25,28)