3-chloranyl-4-methyl-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-methyl-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-methyl-N-[[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-4-methyl-N-[[2-(1-piperidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-methyl-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-methyl-N-[[2-piperidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H21ClF3N3OS MolecularWeight: 455.92415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3)Cl

InChI

InChI=1S/C21H21ClF3N3OS/c1-13-5-6-14(11-16(13)22)19(29)27-20(30)26-17-12-15(21(23,24)25)7-8-18(17)28-9-3-2-4-10-28/h5-8,11-12H,2-4,9-10H2,1H3,(H2,26,27,29,30)