N-[3-[bis(fluoranyl)methylsulfonyl]phenyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-[3-[bis(fluoranyl)methylsulfonyl]phenyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chlorophenyl)-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(3-chlorophenyl)-N-[3-(difluoromethylsulfonyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-chlorophenyl)-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(3-chlorophenyl)-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide Formula: C18H18ClF2N3O2S2 MolecularWeight: 445.934226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NC3=CC(=CC=C3)S(=O)(=O)C(F)F

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NC3=CC(=CC=C3)S(=O)(=O)C(F)F

InChI

InChI=1S/C18H18ClF2N3O2S2/c19-13-3-1-5-15(11-13)23-7-9-24(10-8-23)18(27)22-14-4-2-6-16(12-14)28(25,26)17(20)21/h1-6,11-12,17H,7-10H2,(H,22,27)