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

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[[(4-nitrophenyl)amino]carbamothioyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[(4-nitroanilino)carbamothioyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[(4-nitrophenyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[(4-nitroanilino)carbamothioyl]benzamide Traditional Name: 2-morpholino-5-nitro-N-[(4-nitroanilino)thiocarbamoyl]benzamide Formula: C18H18N6O6S MolecularWeight: 446.43712

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O6S/c25-17(19-18(31)21-20-12-1-3-13(4-2-12)23(26)27)15-11-14(24(28)29)5-6-16(15)22-7-9-30-10-8-22/h1-6,11,20H,7-10H2,(H2,19,21,25,31)