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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3-fluorophenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(3-fluorophenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-(3-fluorophenyl)piperazine-1-carbothioamide Formula: C18H18ClF2N3S MolecularWeight: 381.870426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClF2N3S/c19-16-10-13(4-5-17(16)21)12-23-6-8-24(9-7-23)18(25)22-15-3-1-2-14(20)11-15/h1-5,10-11H,6-9,12H2,(H,22,25)