N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3,5-dinitro-benzamide

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3,5-dinitro-benzamide Openeye Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3,5-dinitro-benzamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-3,5-dinitrobenzamide IUPAC Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3,5-dinitrobenzamide Traditional Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3,5-dinitro-benzamide Formula: C23H25N5O6S MolecularWeight: 499.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O6S/c1-2-16-5-3-6-20-21(16)24-23(35-20)26(8-4-7-25-9-11-34-12-10-25)22(29)17-13-18(27(30)31)15-19(14-17)28(32)33/h3,5-6,13-15H,2,4,7-12H2,1H3