N-(4-bromophenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-bromophenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-bromophenyl)-4-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-ethyl-piperazin-4-ium-1-carbothioamide Formula: C13H19BrN3S+ MolecularWeight: 329.27906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H18BrN3S/c1-2-16-7-9-17(10-8-16)13(18)15-12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3,(H,15,18)/p+1