N-[4-[bis(fluoranyl)methoxy]phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-[4-[bis(fluoranyl)methoxy]phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-[4-(difluoromethoxy)phenyl]-4-(4-pyridylmethyl)piperazine-1-carbothioamide CAS Name: N-[4-(difluoromethoxy)phenyl]-4-(pyridin-4-ylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-(difluoromethoxy)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-[4-(difluoromethoxy)phenyl]-4-(4-pyridylmethyl)piperazine-1-carbothioamide Formula: C18H20F2N4OS MolecularWeight: 378.439406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=S)NC3=CC=C(C=C3)OC(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=S)NC3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C18H20F2N4OS/c19-17(20)25-16-3-1-15(2-4-16)22-18(26)24-11-9-23(10-12-24)13-14-5-7-21-8-6-14/h1-8,17H,9-13H2,(H,22,26)