N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-nitro-benzamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-nitro-benzamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-nitro-benzamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-4-nitrobenzamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-nitrobenzamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-nitro-benzamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H26N4O4S/c1-16-4-9-20-21(17(16)2)24-23(32-20)26(11-3-10-25-12-14-31-15-13-25)22(28)18-5-7-19(8-6-18)27(29)30/h4-9H,3,10-15H2,1-2H3