N-methyl-N-[1-(3-phenoxypropyl)piperidin-4-yl]benzo[e][1,3]benzothiazol-2-amine

Systemtic Name: N-methyl-N-[1-(3-phenoxypropyl)piperidin-4-yl]benzo[e][1,3]benzothiazol-2-amine Openeye Name: N-methyl-N-[1-(3-phenoxypropyl)-4-piperidyl]benzo[e][1,3]benzothiazol-2-amine CAS Name: N-methyl-N-[1-(3-phenoxypropyl)-4-piperidinyl]-2-benzo[e][1,3]benzothiazolamine IUPAC Name: N-methyl-N-[1-(3-phenoxypropyl)piperidin-4-yl]benzo[e][1,3]benzothiazol-2-amine Traditional Name: benzo[e][1,3]benzothiazol-2-yl-methyl-[1-(3-phenoxypropyl)-4-piperidyl]amine Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCCOC2=CC=CC=C2)C3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

CN(C1CCN(CC1)CCCOC2=CC=CC=C2)C3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C26H29N3OS/c1-28(26-27-25-23-11-6-5-8-20(23)12-13-24(25)31-26)21-14-17-29(18-15-21)16-7-19-30-22-9-3-2-4-10-22/h2-6,8-13,21H,7,14-19H2,1H3