1,3-dimorpholin-4-yl-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]propane-1,3-dione

Systemtic Name: 1,3-dimorpholin-4-yl-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]propane-1,3-dione Openeye Name: 1,3-dimorpholino-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]propane-1,3-dione CAS Name: 1,3-bis(4-morpholinyl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]propane-1,3-dione IUPAC Name: 1,3-dimorpholin-4-yl-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]propane-1,3-dione Traditional Name: 1,3-dimorpholino-2-[(6-nitro-1H-benzimidazol-2-yl)thio]propane-1,3-dione Formula: C18H21N5O6S MolecularWeight: 435.45424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C(=O)N2CCOCC2)SC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)C(C(=O)N2CCOCC2)SC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O6S/c24-16(21-3-7-28-8-4-21)15(17(25)22-5-9-29-10-6-22)30-18-19-13-2-1-12(23(26)27)11-14(13)20-18/h1-2,11,15H,3-10H2,(H,19,20)