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

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-cyanobenzoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(4-phenyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C25H20N4O2S MolecularWeight: 440.5169

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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=CC=C(C=C5)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H20N4O2S/c26-17-18-6-8-19(9-7-18)24(30)31-21-10-11-22-23(16-21)32-25(27-22)29-14-12-28(13-15-29)20-4-2-1-3-5-20/h1-11,16H,12-15H2