N-[4-[bis(fluoranyl)methoxy]phenyl]-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[4-[bis(fluoranyl)methoxy]phenyl]-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-[4-(difluoromethoxy)phenyl]-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[4-(difluoromethoxy)phenyl]-4-(2-phenoxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[4-(difluoromethoxy)phenyl]-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-[4-(difluoromethoxy)phenyl]-4-(2-phenoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C20H24F2N3O2S+ MolecularWeight: 408.485266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)OC(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C20H23F2N3O2S/c21-19(22)27-18-8-6-16(7-9-18)23-20(28)25-12-10-24(11-13-25)14-15-26-17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,23,28)/p+1