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

Systemtic Name: 1-methyl-3-[6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea Openeye Name: 1-methyl-3-[6-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-3-pyridyl]thiourea CAS Name: 1-methyl-3-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-3-pyridinyl]thiourea IUPAC Name: 1-methyl-3-[6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea Traditional Name: 1-methyl-3-[6-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]-3-pyridyl]thiourea Formula: C17H19F3N6S MolecularWeight: 396.43317

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CN=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CNC(=S)NC1=CN=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H19F3N6S/c1-21-16(27)24-13-3-5-15(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)