N-(2-methoxyethyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-methoxyethyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-methoxyethyl)-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-methoxyethyl)-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-methoxyethyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-methoxyethyl)-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C13H22N3OS2+ MolecularWeight: 300.46328

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N1CC[NH+](CC1)CC2=CSC=C2

Isomeric SMILES

COCCNC(=S)N1CC[NH+](CC1)CC2=CSC=C2

InChI

InChI=1S/C13H21N3OS2/c1-17-8-3-14-13(18)16-6-4-15(5-7-16)10-12-2-9-19-11-12/h2,9,11H,3-8,10H2,1H3,(H,14,18)/p+1