[2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-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] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C25H20N4O2S2 MolecularWeight: 472.5819

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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(C=C5)N=CS6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)OC(=O)C5=CC6=C(C=C5)N=CS6

InChI

InChI=1S/C25H20N4O2S2/c30-24(17-6-8-20-22(14-17)32-16-26-20)31-19-7-9-21-23(15-19)33-25(27-21)29-12-10-28(11-13-29)18-4-2-1-3-5-18/h1-9,14-16H,10-13H2