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

Systemtic Name: [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]-(2-methyl-3-nitro-phenyl)methanone Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O4S/c1-3-29-15-7-8-17-19(13-15)30-21(22-17)24-11-9-23(10-12-24)20(26)16-5-4-6-18(14(16)2)25(27)28/h4-8,13H,3,9-12H2,1-2H3