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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide Formula: C18H17Cl2F3N4S MolecularWeight: 449.32059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)Cl

InChI

InChI=1S/C18H17Cl2F3N4S/c1-11-2-3-13(9-14(11)19)25-17(28)27-6-4-26(5-7-27)16-15(20)8-12(10-24-16)18(21,22)23/h2-3,8-10H,4-7H2,1H3,(H,25,28)