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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(5-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(5-chloro-2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(5-chloro-2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioamide Formula: C19H20Cl2FN3S MolecularWeight: 412.351603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H20Cl2FN3S/c1-13-2-4-15(20)11-18(13)23-19(26)25-8-6-24(7-9-25)12-14-3-5-17(22)16(21)10-14/h2-5,10-11H,6-9,12H2,1H3,(H,23,26)