N-[3-[bis(fluoranyl)methoxy]phenyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-[3-[bis(fluoranyl)methoxy]phenyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-[3-(difluoromethoxy)phenyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-[3-(difluoromethoxy)phenyl]-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-[3-(difluoromethoxy)phenyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-[3-(difluoromethoxy)phenyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C18H18F2N4O3S MolecularWeight: 408.422326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC(=CC=C3)OC(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC(=CC=C3)OC(F)F

InChI

InChI=1S/C18H18F2N4O3S/c19-17(20)27-16-3-1-2-13(12-16)21-18(28)23-10-8-22(9-11-23)14-4-6-15(7-5-14)24(25)26/h1-7,12,17H,8-11H2,(H,21,28)