N-[3-[bis(fluoranyl)methoxy]-4-cyano-phenyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-[3-[bis(fluoranyl)methoxy]-4-cyano-phenyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide Openeye Name: N-[4-cyano-3-(difluoromethoxy)phenyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide CAS Name: N-[4-cyano-3-(difluoromethoxy)phenyl]-4-(2-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-cyano-3-(difluoromethoxy)phenyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide Traditional Name: N-[4-cyano-3-(difluoromethoxy)phenyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide Formula: C19H17F3N4OS MolecularWeight: 406.42469

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=S)NC3=CC(=C(C=C3)C#N)OC(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=S)NC3=CC(=C(C=C3)C#N)OC(F)F

InChI

InChI=1S/C19H17F3N4OS/c20-15-3-1-2-4-16(15)25-7-9-26(10-8-25)19(28)24-14-6-5-13(12-23)17(11-14)27-18(21)22/h1-6,11,18H,7-10H2,(H,24,28)