N-(2-morpholin-4-ylethylcarbamothioyl)-4-nitro-benzamide

Systemtic Name: N-(2-morpholin-4-ylethylcarbamothioyl)-4-nitro-benzamide Openeye Name: N-(2-morpholinoethylcarbamothioyl)-4-nitro-benzamide CAS Name: N-[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-(2-morpholin-4-ylethylcarbamothioyl)-4-nitrobenzamide Traditional Name: N-(2-morpholinoethylthiocarbamoyl)-4-nitro-benzamide Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O4S/c19-13(11-1-3-12(4-2-11)18(20)21)16-14(23)15-5-6-17-7-9-22-10-8-17/h1-4H,5-10H2,(H2,15,16,19,23)