N-(3-morpholin-4-ylpropyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Openeye Name: N-(3-morpholinopropyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide CAS Name: N-[3-(4-morpholinyl)propyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Traditional Name: N-(3-morpholinopropyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide Formula: C18H26F3N5OS MolecularWeight: 417.49215

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=S)NCCCN3CCOCC3

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=S)NCCCN3CCOCC3

InChI

InChI=1S/C18H26F3N5OS/c19-18(20,21)15-2-3-16(23-14-15)25-6-8-26(9-7-25)17(28)22-4-1-5-24-10-12-27-13-11-24/h2-3,14H,1,4-13H2,(H,22,28)