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

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(phenylmethyl)benzoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-benzylbenzoate CAS Name: 4-(phenylmethyl)benzoic 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-benzylbenzoate Traditional Name: 4-benzylbenzoic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C31H27N3O2S MolecularWeight: 505.62998

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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)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)OC(=O)C5=CC=C(C=C5)CC6=CC=CC=C6

InChI

InChI=1S/C31H27N3O2S/c35-30(25-13-11-24(12-14-25)21-23-7-3-1-4-8-23)36-27-15-16-28-29(22-27)37-31(32-28)34-19-17-33(18-20-34)26-9-5-2-6-10-26/h1-16,22H,17-21H2