[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-pentoxyphenyl)methanone

Systemtic Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-pentoxyphenyl)methanone Openeye Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-pentoxyphenyl)methanone CAS Name: [4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-(4-pentoxyphenyl)methanone IUPAC Name: [4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-pentoxyphenyl)methanone Traditional Name: (4-amoxyphenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4S/c1-2-3-4-15-31-19-8-5-17(6-9-19)22(28)25-11-13-26(14-12-25)23-24-20-10-7-18(27(29)30)16-21(20)32-23/h5-10,16H,2-4,11-15H2,1H3