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

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]azepane-1-carbothioamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]azepane-1-carbothioamide CAS Name: N-[4-(difluoromethylthio)phenyl]-1-azepanecarbothioamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]azepane-1-carbothioamide Traditional Name: N-[4-(difluoromethylthio)phenyl]azepane-1-carbothioamide Formula: C14H18F2N2S2 MolecularWeight: 316.432926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

C1CCCN(CC1)C(=S)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C14H18F2N2S2/c15-13(16)20-12-7-5-11(6-8-12)17-14(19)18-9-3-1-2-4-10-18/h5-8,13H,1-4,9-10H2,(H,17,19)