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

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 1,3-benzothiazole-2-carboxylate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 1,3-benzothiazole-2-carboxylate CAS Name: 1,3-benzothiazole-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] 1,3-benzothiazole-2-carboxylate Traditional Name: 1,3-benzothiazole-2-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=NC6=CC=CC=C6S5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)OC(=O)C5=NC6=CC=CC=C6S5

InChI

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