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

Systemtic Name: 2-[(3-ethoxy-4-phenylmethoxy-phenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole Openeye Name: 2-[(4-benzyloxy-3-ethoxy-phenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole CAS Name: 2-[(3-ethoxy-4-phenylmethoxyphenyl)-(1-piperazinyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(3-ethoxy-4-phenylmethoxyphenyl)-piperazin-1-ylmethyl]-1,3-benzothiazole Traditional Name: 2-[(4-benzoxy-3-ethoxy-phenyl)-piperazino-methyl]-1,3-benzothiazole Formula: C27H29N3O2S MolecularWeight: 459.60306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=NC3=CC=CC=C3S2)N4CCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=NC3=CC=CC=C3S2)N4CCNCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O2S/c1-2-31-24-18-21(12-13-23(24)32-19-20-8-4-3-5-9-20)26(30-16-14-28-15-17-30)27-29-22-10-6-7-11-25(22)33-27/h3-13,18,26,28H,2,14-17,19H2,1H3