4-methyl-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzenecarboximidate

Systemtic Name: 4-methyl-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzenecarboximidate Openeye Name: 4-methyl-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzenecarboximidate CAS Name: 4-methyl-N-[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]benzenecarboximidate IUPAC Name: 4-methyl-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzenecarboximidate Traditional Name: 4-methyl-N-(2-morpholin-4-ium-4-ylethylthiocarbamoyl)benzenecarboximidate Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S/c1-12-2-4-13(5-3-12)14(19)17-15(21)16-6-7-18-8-10-20-11-9-18/h2-5H,6-11H2,1H3,(H2,16,17,19,21)