N-[2,4-bis(fluoranyl)phenyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(2,4-difluorophenyl)-4-(2-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2,4-difluorophenyl)-4-(thiophen-2-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2,4-difluorophenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2,4-difluorophenyl)-4-(2-thenyl)piperazin-4-ium-1-carbothioamide Formula: C16H18F2N3S2+ MolecularWeight: 354.461026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=S)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=S)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C16H17F2N3S2/c17-12-3-4-15(14(18)10-12)19-16(22)21-7-5-20(6-8-21)11-13-2-1-9-23-13/h1-4,9-10H,5-8,11H2,(H,19,22)/p+1