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

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-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] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C26H20ClN3O2S2 MolecularWeight: 506.0389

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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=C(C6=CC=CC=C6S5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)OC(=O)C5=C(C6=CC=CC=C6S5)Cl

InChI

InChI=1S/C26H20ClN3O2S2/c27-23-19-8-4-5-9-21(19)33-24(23)25(31)32-18-10-11-20-22(16-18)34-26(28-20)30-14-12-29(13-15-30)17-6-2-1-3-7-17/h1-11,16H,12-15H2