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

Systemtic Name: 4-ethoxy-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-3-nitro-benzamide Openeye Name: 4-ethoxy-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)-3-nitrobenzamide Traditional Name: 4-ethoxy-N-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)-3-nitro-benzamide Formula: C17H25N4O5S+ MolecularWeight: 397.4692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCC[NH+]2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCC[NH+]2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O5S/c1-2-26-15-5-4-13(12-14(15)21(23)24)16(22)19-17(27)18-6-3-7-20-8-10-25-11-9-20/h4-5,12H,2-3,6-11H2,1H3,(H2,18,19,22,27)/p+1