N-methyl-4-[[methyl(3-morpholin-4-ium-4-ylpropylcarbamothioyl)amino]methyl]benzamide

Systemtic Name: N-methyl-4-[[methyl(3-morpholin-4-ium-4-ylpropylcarbamothioyl)amino]methyl]benzamide Openeye Name: N-methyl-4-[[methyl(3-morpholin-4-ium-4-ylpropylcarbamothioyl)amino]methyl]benzamide CAS Name: N-methyl-4-[[methyl-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]amino]methyl]benzamide IUPAC Name: N-methyl-4-[[methyl(3-morpholin-4-ium-4-ylpropylcarbamothioyl)amino]methyl]benzamide Traditional Name: N-methyl-4-[[methyl(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)amino]methyl]benzamide Formula: C18H29N4O2S+ MolecularWeight: 365.51346

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C18H28N4O2S/c1-19-17(23)16-6-4-15(5-7-16)14-21(2)18(25)20-8-3-9-22-10-12-24-13-11-22/h4-7H,3,8-14H2,1-2H3,(H,19,23)(H,20,25)/p+1