3,4,5-trimethoxy-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)benzamide

Systemtic Name: 3,4,5-trimethoxy-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)benzamide Openeye Name: 3,4,5-trimethoxy-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)benzamide CAS Name: 3,4,5-trimethoxy-N-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)benzamide Traditional Name: 3,4,5-trimethoxy-N-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)benzamide Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C18H27N3O5S/c1-23-14-11-13(12-15(24-2)16(14)25-3)17(22)20-18(27)19-5-4-6-21-7-9-26-10-8-21/h11-12H,4-10H2,1-3H3,(H2,19,20,22,27)/p+1