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

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 2-(4-chloranylphenoxy)ethanoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 2-(4-chlorophenoxy)acetate CAS Name: 2-(4-chlorophenoxy)acetic acid [2-(4-phenyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 2-(4-chlorophenoxy)acetate Traditional Name: 2-(4-chlorophenoxy)acetic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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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)COC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)OC(=O)COC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H22ClN3O3S/c26-18-6-8-20(9-7-18)31-17-24(30)32-21-10-11-22-23(16-21)33-25(27-22)29-14-12-28(13-15-29)19-4-2-1-3-5-19/h1-11,16H,12-15,17H2