N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitro-benzamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitro-benzamide Openeye Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3,5-dinitro-benzamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-3,5-dinitrobenzamide IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitrobenzamide Traditional Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3,5-dinitro-benzamide Formula: C21H21N5O7S MolecularWeight: 487.48574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CCN3CCOCC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CCN3CCOCC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O7S/c1-32-17-2-3-19-18(13-17)22-21(34-19)24(5-4-23-6-8-33-9-7-23)20(27)14-10-15(25(28)29)12-16(11-14)26(30)31/h2-3,10-13H,4-9H2,1H3