N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2-phenoxy-propanamide

Systemtic Name: N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2-phenoxy-propanamide Openeye Name: N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2-phenoxy-propanamide CAS Name: N-[2-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-2-phenoxypropanamide IUPAC Name: N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2-phenoxypropanamide Traditional Name: N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]phenyl]-2-phenoxy-propionamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1CCN2CCN(CC2)C3=NSC4=CC=CC=C43)OC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1CCN2CCN(CC2)C3=NSC4=CC=CC=C43)OC5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2S/c1-21(34-23-10-3-2-4-11-23)28(33)29-25-13-7-5-9-22(25)15-16-31-17-19-32(20-18-31)27-24-12-6-8-14-26(24)35-30-27/h2-14,21H,15-20H2,1H3,(H,29,33)