2-[[3-morpholin-4-ium-4-ylpropyl(thiophen-2-ylmethyl)carbamothioyl]amino]ethanoate

Systemtic Name: 2-[[3-morpholin-4-ium-4-ylpropyl(thiophen-2-ylmethyl)carbamothioyl]amino]ethanoate Openeye Name: 2-[[3-morpholin-4-ium-4-ylpropyl(2-thienylmethyl)carbamothioyl]amino]acetate CAS Name: 2-[[[3-(4-morpholin-4-iumyl)propyl-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]acetate IUPAC Name: 2-[[3-morpholin-4-ium-4-ylpropyl(thiophen-2-ylmethyl)carbamothioyl]amino]acetate Traditional Name: 2-[[3-morpholin-4-ium-4-ylpropyl(2-thenyl)thiocarbamoyl]amino]acetate Formula: C15H23N3O3S2 MolecularWeight: 357.49142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN(CC2=CC=CS2)C(=S)NCC(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCN(CC2=CC=CS2)C(=S)NCC(=O)[O-]

InChI

InChI=1S/C15H23N3O3S2/c19-14(20)11-16-15(22)18(12-13-3-1-10-23-13)5-2-4-17-6-8-21-9-7-17/h1,3,10H,2,4-9,11-12H2,(H,16,22)(H,19,20)