N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3,5-dinitro-benzamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3,5-dinitro-benzamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3,5-dinitro-benzamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-3,5-dinitrobenzamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3,5-dinitrobenzamide Traditional Name: N-(6-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=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O6S/c1-15-3-4-19-20(11-15)34-22(23-19)25(6-2-5-24-7-9-33-10-8-24)21(28)16-12-17(26(29)30)14-18(13-16)27(31)32/h3-4,11-14H,2,5-10H2,1H3