N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]valeramide Formula: C17H22F3N3O2S MolecularWeight: 389.43569

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2

InChI

InChI=1S/C17H22F3N3O2S/c1-2-3-4-15(24)22-16(26)21-13-11-12(17(18,19)20)5-6-14(13)23-7-9-25-10-8-23/h5-6,11H,2-4,7-10H2,1H3,(H2,21,22,24,26)