methyl N'-(3-morpholin-4-ium-4-ylpropyl)-N-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N'-(3-morpholin-4-ium-4-ylpropyl)-N-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 2-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-(2-thienylsulfonyl)isothiourea CAS Name: N'-[3-(4-morpholin-4-iumyl)propyl]-N-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(3-morpholin-4-ium-4-ylpropyl)-N-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 2-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-(2-thienylsulfonyl)isothiourea Formula: C13H22N3O3S3+ MolecularWeight: 364.52708

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCC[NH+]1CCOCC1)NS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CSC(=NCCC[NH+]1CCOCC1)NS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C13H21N3O3S3/c1-20-13(15-22(17,18)12-4-2-11-21-12)14-5-3-6-16-7-9-19-10-8-16/h2,4,11H,3,5-10H2,1H3,(H,14,15)/p+1