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

Systemtic Name: [4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitro-phenyl)methanone Openeye Name: [4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholino-3-nitro-phenyl)methanone CAS Name: [4-(4-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-[4-(4-morpholinyl)-3-nitrophenyl]methanone IUPAC Name: [4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone Traditional Name: [4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazino]-(4-morpholino-3-nitro-phenyl)methanone Formula: C24H27N5O5S MolecularWeight: 497.56668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O5S/c1-2-34-20-4-3-5-21-22(20)25-24(35-21)28-10-8-27(9-11-28)23(30)17-6-7-18(19(16-17)29(31)32)26-12-14-33-15-13-26/h3-7,16H,2,8-15H2,1H3