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

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-(3-chloranyl-4-fluoranyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-(3-chloro-4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide Formula: C24H21ClF3N3S MolecularWeight: 475.95685

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=S)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=S)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C24H21ClF3N3S/c25-21-15-20(9-10-22(21)28)29-24(32)31-13-11-30(12-14-31)23(16-1-5-18(26)6-2-16)17-3-7-19(27)8-4-17/h1-10,15,23H,11-14H2,(H,29,32)