2-methyl-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-3-nitro-benzamide

Systemtic Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-3-nitro-benzamide Openeye Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-3-nitro-benzamide CAS Name: 2-methyl-N-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-3-nitrobenzamide Traditional Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)-3-nitro-benzamide Formula: C16H23N4O4S+ MolecularWeight: 367.44322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4S/c1-12-13(4-2-5-14(12)20(22)23)15(21)18-16(25)17-6-3-7-19-8-10-24-11-9-19/h2,4-5H,3,6-11H2,1H3,(H2,17,18,21,25)/p+1