4-[bis(4-fluorophenyl)methyl]-N-(5-chloranyl-2-methoxy-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-(5-chloranyl-2-methoxy-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxy-phenyl)piperazine-1-carbothioamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxy-phenyl)piperazine-1-carbothioamide Formula: C25H24ClF2N3OS MolecularWeight: 487.992366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24ClF2N3OS/c1-32-23-11-6-19(26)16-22(23)29-25(33)31-14-12-30(13-15-31)24(17-2-7-20(27)8-3-17)18-4-9-21(28)10-5-18/h2-11,16,24H,12-15H2,1H3,(H,29,33)