2-[2-methoxy-5-[(Z)-C-methyl-N-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)carbonimidoyl]phenyl]ethanoate

Systemtic Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)carbonimidoyl]phenyl]ethanoate Openeye Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)carbonimidoyl]phenyl]acetate CAS Name: 2-[2-methoxy-5-[(1Z)-1-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]hydrazinylidene]ethyl]phenyl]acetate IUPAC Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)carbonimidoyl]phenyl]acetate Traditional Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)carbonimidoyl]phenyl]acetate Formula: C18H26N4O4S MolecularWeight: 394.48844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC[NH+]1CCOCC1)C2=CC(=C(C=C2)OC)CC(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=S)NCC[NH+]1CCOCC1)/C2=CC(=C(C=C2)OC)CC(=O)[O-]

InChI

InChI=1S/C18H26N4O4S/c1-13(14-3-4-16(25-2)15(11-14)12-17(23)24)20-21-18(27)19-5-6-22-7-9-26-10-8-22/h3-4,11H,5-10,12H2,1-2H3,(H,23,24)(H2,19,21,27)/b20-13-