1-methyl-3-[6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]sulfanyl-urea

Systemtic Name: 1-methyl-3-[6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]sulfanyl-urea Openeye Name: 1-methyl-3-[[6-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-3-pyridyl]sulfanyl]urea CAS Name: 1-methyl-3-[[6-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-3-pyridinyl]thio]urea IUPAC Name: 1-methyl-3-[6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]sulfanylurea Traditional Name: 1-methyl-3-[[6-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]-3-pyridyl]thio]urea Formula: C17H19F3N6OS MolecularWeight: 412.43257

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NSC1=CN=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CNC(=O)NSC1=CN=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H19F3N6OS/c1-21-16(27)24-28-13-3-5-15(23-11-13)26-8-6-25(7-9-26)14-4-2-12(10-22-14)17(18,19)20/h2-5,10-11H,6-9H2,1H3,(H2,21,24,27)