4-morpholin-4-yl-3-nitro-N-[(4-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[(4-nitrophenyl)carbamothioyl]benzamide Openeye Name: 4-morpholino-3-nitro-N-[(4-nitrophenyl)carbamothioyl]benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[(4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-[(4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-morpholino-3-nitro-N-[(4-nitrophenyl)thiocarbamoyl]benzamide Formula: C18H17N5O6S MolecularWeight: 431.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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