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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-4-nitro-benzamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-4-nitro-benzamide CAS Name: N-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-4-nitrobenzamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)-4-nitro-benzamide Formula: C15H21N4O4S+ MolecularWeight: 353.41664

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O4S/c20-14(12-2-4-13(5-3-12)19(21)22)17-15(24)16-6-1-7-18-8-10-23-11-9-18/h2-5H,1,6-11H2,(H2,16,17,20,24)/p+1