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

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-nitro-benzamide Openeye Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-nitro-benzamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-3-nitrobenzamide IUPAC Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-nitrobenzamide Traditional Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-nitro-benzamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-2-17-6-4-9-20-21(17)24-23(32-20)26(11-5-10-25-12-14-31-15-13-25)22(28)18-7-3-8-19(16-18)27(29)30/h3-4,6-9,16H,2,5,10-15H2,1H3