2-morpholin-4-yl-5-nitro-N-[(2-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[(2-nitrophenyl)carbamothioyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[(2-nitrophenyl)carbamothioyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[(2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[(2-nitrophenyl)carbamothioyl]benzamide Traditional Name: 2-morpholino-5-nitro-N-[(2-nitrophenyl)thiocarbamoyl]benzamide Formula: C18H17N5O6S MolecularWeight: 431.42248

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O6S/c24-17(20-18(30)19-14-3-1-2-4-16(14)23(27)28)13-11-12(22(25)26)5-6-15(13)21-7-9-29-10-8-21/h1-6,11H,7-10H2,(H2,19,20,24,30)