2-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole

Systemtic Name: 2-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole Openeye Name: 2-[(4-benzyloxy-3,5-dimethoxy-phenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole CAS Name: 2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(1-piperazinyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-piperazin-1-ylmethyl]-1,3-benzothiazole Traditional Name: 2-[(4-benzoxy-3,5-dimethoxy-phenyl)-piperazino-methyl]-1,3-benzothiazole Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=NC4=CC=CC=C4S3)N5CCNCC5

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=NC4=CC=CC=C4S3)N5CCNCC5

InChI

InChI=1S/C27H29N3O3S/c1-31-22-16-20(17-23(32-2)26(22)33-18-19-8-4-3-5-9-19)25(30-14-12-28-13-15-30)27-29-21-10-6-7-11-24(21)34-27/h3-11,16-17,25,28H,12-15,18H2,1-2H3