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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3,5-dinitro-benzamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3,5-dinitro-benzamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-3,5-dinitrobenzamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3,5-dinitrobenzamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3,5-dinitro-benzamide Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O6S/c1-15-4-2-5-19-20(15)23-22(34-19)25(7-3-6-24-8-10-33-11-9-24)21(28)16-12-17(26(29)30)14-18(13-16)27(31)32/h2,4-5,12-14H,3,6-11H2,1H3