N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[2-(1-piperidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[2-piperidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C18H18F3N3OS2 MolecularWeight: 413.48023

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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=CC=CS3

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H18F3N3OS2/c19-18(20,21)12-6-7-14(24-8-2-1-3-9-24)13(11-12)22-17(26)23-16(25)15-5-4-10-27-15/h4-7,10-11H,1-3,8-9H2,(H2,22,23,25,26)