2-[(3-methoxy-4-phenylmethoxy-phenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole

Systemtic Name: 2-[(3-methoxy-4-phenylmethoxy-phenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole Openeye Name: 2-[(4-benzyloxy-3-methoxy-phenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole CAS Name: 2-[(3-methoxy-4-phenylmethoxyphenyl)-(1-piperazinyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(3-methoxy-4-phenylmethoxyphenyl)-piperazin-1-ylmethyl]-1,3-benzothiazole Traditional Name: 2-[(4-benzoxy-3-methoxy-phenyl)-piperazino-methyl]-1,3-benzothiazole Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=NC3=CC=CC=C3S2)N4CCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=NC3=CC=CC=C3S2)N4CCNCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O2S/c1-30-23-17-20(11-12-22(23)31-18-19-7-3-2-4-8-19)25(29-15-13-27-14-16-29)26-28-21-9-5-6-10-24(21)32-26/h2-12,17,25,27H,13-16,18H2,1H3