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

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methyl]-N-(3-chloro-2-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(3-chloro-2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-chloro-4-fluoro-benzyl)-N-(3-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=CC=C1Cl)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

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