[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitro-phenyl)methanone

Systemtic Name: [4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitro-phenyl)methanone Openeye Name: [4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholino-3-nitro-phenyl)methanone CAS Name: [4-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-[4-(4-morpholinyl)-3-nitrophenyl]methanone IUPAC Name: [4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone Traditional Name: [4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazino]-(4-morpholino-3-nitro-phenyl)methanone Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-])C

InChI

InChI=1S/C24H27N5O4S/c1-16-13-17(2)22-19(14-16)25-24(34-22)28-7-5-27(6-8-28)23(30)18-3-4-20(21(15-18)29(31)32)26-9-11-33-12-10-26/h3-4,13-15H,5-12H2,1-2H3