N-[3,5-bis(trifluoromethyl)phenyl]-4-pyridin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-pyridin-2-yl-piperazine-1-carbothioamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-pyridyl)piperazine-1-carbothioamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carbothioamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-pyridyl)piperazine-1-carbothioamide Formula: C18H16F6N4S MolecularWeight: 434.401859

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H16F6N4S/c19-17(20,21)12-9-13(18(22,23)24)11-14(10-12)26-16(29)28-7-5-27(6-8-28)15-3-1-2-4-25-15/h1-4,9-11H,5-8H2,(H,26,29)