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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(2,4-dichlorophenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(2,4-dichlorophenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(2,4-dichlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(2,4-dichlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-(2,4-dichlorophenyl)piperazine-1-carbothioamide Formula: C18H17Cl3FN3S MolecularWeight: 432.770083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)F)Cl)C(=S)NC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)F)Cl)C(=S)NC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H17Cl3FN3S/c19-13-2-4-17(15(21)10-13)23-18(26)25-7-5-24(6-8-25)11-12-1-3-16(22)14(20)9-12/h1-4,9-10H,5-8,11H2,(H,23,26)