N-[4-[bis(fluoranyl)methoxy]phenyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[4-[bis(fluoranyl)methoxy]phenyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-[4-(difluoromethoxy)phenyl]-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[4-(difluoromethoxy)phenyl]-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[4-(difluoromethoxy)phenyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-[4-(difluoromethoxy)phenyl]-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C17H20F2N3OS2+ MolecularWeight: 384.487006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=S)NC3=CC=C(C=C3)OC(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=S)NC3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C17H19F2N3OS2/c18-16(19)23-15-3-1-14(2-4-15)20-17(24)22-8-6-21(7-9-22)11-13-5-10-25-12-13/h1-5,10,12,16H,6-9,11H2,(H,20,24)/p+1