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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(2-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-(2-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=C3F

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)F)Cl)C(=S)NC3=CC=CC=C3F

InChI

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