4-[(5-bromanylthiophen-2-yl)methyl]-N-(3-methylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methyl]-N-(3-methylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(5-bromo-2-thienyl)methyl]-N-(m-tolyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(5-bromo-2-thiophenyl)methyl]-N-(3-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(5-bromothiophen-2-yl)methyl]-N-(3-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(5-bromo-2-thienyl)methyl]-N-(m-tolyl)piperazin-4-ium-1-carbothioamide Formula: C17H21BrN3S2+ MolecularWeight: 411.40274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C17H20BrN3S2/c1-13-3-2-4-14(11-13)19-17(22)21-9-7-20(8-10-21)12-15-5-6-16(18)23-15/h2-6,11H,7-10,12H2,1H3,(H,19,22)/p+1