N-[(3-morpholin-4-ium-4-ylpropanoylamino)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(3-morpholin-4-ium-4-ylpropanoylamino)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(3-morpholin-4-ium-4-ylpropanoylamino)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[3-(4-morpholin-4-iumyl)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(3-morpholin-4-ium-4-ylpropanoylamino)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(3-morpholin-4-ium-4-ylpropanoylamino)thiocarbamoyl]-3-nitro-benzamide Formula: C15H20N5O5S+ MolecularWeight: 382.4148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O5S/c21-13(4-5-19-6-8-25-9-7-19)17-18-15(26)16-14(22)11-2-1-3-12(10-11)20(23)24/h1-3,10H,4-9H2,(H,17,21)(H2,16,18,22,26)/p+1