N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]ethanamide

Systemtic Name: N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]acetamide CAS Name: N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]acetamide Traditional Name: N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]acetamide Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4S/c1-9(18)14-13(22)15-10-2-3-11(12(8-10)17(19)20)16-4-6-21-7-5-16/h2-3,8H,4-7H2,1H3,(H2,14,15,18,22)