2-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)acetamide Formula: C18H29N4O2S+ MolecularWeight: 365.51346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=S)NCC[NH+]2CCOCC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=S)NCC[NH+]2CCOCC2)C

InChI

InChI=1S/C18H28N4O2S/c1-13-10-14(2)17(15(3)11-13)21-16(23)12-20-18(25)19-4-5-22-6-8-24-9-7-22/h10-11H,4-9,12H2,1-3H3,(H,21,23)(H2,19,20,25)/p+1