[2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(4-phenyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C26H20N4O4S2 MolecularWeight: 516.5914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)OC(=O)C5=CC6=C(S5)C=CC(=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)OC(=O)C5=CC6=C(S5)C=CC(=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H20N4O4S2/c31-25(24-15-17-14-19(30(32)33)6-9-22(17)35-24)34-20-7-8-21-23(16-20)36-26(27-21)29-12-10-28(11-13-29)18-4-2-1-3-5-18/h1-9,14-16H,10-13H2