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

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-methoxybenzoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3S/c1-30-20-9-7-18(8-10-20)24(29)31-21-11-12-22-23(17-21)32-25(26-22)28-15-13-27(14-16-28)19-5-3-2-4-6-19/h2-12,17H,13-16H2,1H3