4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-(2-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-N-(thiophen-2-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N-(2-thenyl)piperazin-4-ium-1-carbothioamide Formula: C18H27N4S2+ MolecularWeight: 363.56378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=S)NCC3=CC=CS3)C

Isomeric SMILES

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=S)NCC3=CC=CS3)C

InChI

InChI=1S/C18H26N4S2/c1-15-5-6-16(2)22(15)12-9-20-7-10-21(11-8-20)18(23)19-14-17-4-3-13-24-17/h3-6,13H,7-12,14H2,1-2H3,(H,19,23)/p+1