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

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(5-bromo-2-thienyl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(5-bromo-2-thiophenyl)methyl]-N-(2-methoxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(5-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(5-bromo-2-thienyl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C13H21BrN3OS2+ MolecularWeight: 379.35934

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N1CC[NH+](CC1)CC2=CC=C(S2)Br

Isomeric SMILES

COCCNC(=S)N1CC[NH+](CC1)CC2=CC=C(S2)Br

InChI

InChI=1S/C13H20BrN3OS2/c1-18-9-4-15-13(19)17-7-5-16(6-8-17)10-11-2-3-12(14)20-11/h2-3H,4-10H2,1H3,(H,15,19)/p+1