3-chloranyl-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-(1-piperidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[2-piperidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H19ClF3N3OS2 MolecularWeight: 497.98397

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H19ClF3N3OS2/c23-18-14-6-2-3-7-17(14)32-19(18)20(30)28-21(31)27-15-12-13(22(24,25)26)8-9-16(15)29-10-4-1-5-11-29/h2-3,6-9,12H,1,4-5,10-11H2,(H2,27,28,30,31)