N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-(diphenylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-(diphenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzhydryl-N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-carbothioamide CAS Name: N-[4-(difluoromethylthio)phenyl]-4-(diphenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzhydryl-N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-benzhydryl-N-[4-(difluoromethylthio)phenyl]piperazine-1-carbothioamide Formula: C25H25F2N3S2 MolecularWeight: 469.612906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25F2N3S2/c26-24(27)32-22-13-11-21(12-14-22)28-25(31)30-17-15-29(16-18-30)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23-24H,15-18H2,(H,28,31)