N-(2-bromanyl-4-propan-2-yl-phenyl)-4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(2-bromanyl-4-propan-2-yl-phenyl)-4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Openeye Name: N-(2-bromo-4-isopropyl-phenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide CAS Name: N-(2-bromo-4-propan-2-ylphenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-bromo-4-propan-2-ylphenyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Traditional Name: N-(2-bromo-4-isopropyl-phenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide Formula: C20H21BrClF3N4S MolecularWeight: 521.82475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)Br

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)Br

InChI

InChI=1S/C20H21BrClF3N4S/c1-12(2)13-3-4-17(15(21)9-13)27-19(30)29-7-5-28(6-8-29)18-16(22)10-14(11-26-18)20(23,24)25/h3-4,9-12H,5-8H2,1-2H3,(H,27,30)