N-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-morpholinophenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-[4-(4-morpholinyl)phenyl]-3-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(4-morpholinophenyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C18H19F3N4O2S MolecularWeight: 412.42927

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)CCSC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)CCSC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O2S/c19-18(20,21)15-5-7-22-17(24-15)28-12-6-16(26)23-13-1-3-14(4-2-13)25-8-10-27-11-9-25/h1-5,7H,6,8-12H2,(H,23,26)