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

Systemtic Name: 4-chloranyl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]butanamide Openeye Name: 4-chloro-N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]butanamide CAS Name: 4-chloro-N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]butanamide Traditional Name: 4-chloro-N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]butyramide Formula: C16H19ClF3N3O2S MolecularWeight: 409.85417

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)CCCCl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)CCCCl

InChI

InChI=1S/C16H19ClF3N3O2S/c17-5-1-2-14(24)22-15(26)21-12-10-11(16(18,19)20)3-4-13(12)23-6-8-25-9-7-23/h3-4,10H,1-2,5-9H2,(H2,21,22,24,26)