2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine

Systemtic Name: 2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine Openeye Name: 2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N'-(5-nitro-8-quinolyl)propane-1,3-diamine CAS Name: 2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N'-(5-nitro-8-quinolinyl)propane-1,3-diamine IUPAC Name: 2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine Traditional Name: [2,2-dimethyl-3-[(6-nitro-1,3-benzothiazol-2-yl)amino]propyl]-(5-nitro-8-quinolyl)amine Formula: C21H20N6O4S MolecularWeight: 452.4863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2)CNC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CNC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2)CNC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O4S/c1-21(2,12-24-20-25-15-6-5-13(26(28)29)10-18(15)32-20)11-23-16-7-8-17(27(30)31)14-4-3-9-22-19(14)16/h3-10,23H,11-12H2,1-2H3,(H,24,25)