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

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carbothioamide Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carbothioamide CAS Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(4-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-chloro-4-fluoro-benzyl)-N-(4-chlorophenyl)piperazine-1-carbothioamide Formula: C18H18Cl2FN3S MolecularWeight: 398.325023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18Cl2FN3S/c19-14-2-5-16(6-3-14)22-18(25)24-9-7-23(8-10-24)12-13-1-4-15(21)11-17(13)20/h1-6,11H,7-10,12H2,(H,22,25)