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

Systemtic Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2-phenoxy-butanamide Openeye Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2-phenoxy-butanamide CAS Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-2-phenoxybutanamide IUPAC Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2-phenoxybutanamide Traditional Name: N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]phenyl]-2-phenoxy-butyramide Formula: C29H32N4O2S MolecularWeight: 500.65498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43)OC5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43)OC5=CC=CC=C5

InChI

InChI=1S/C29H32N4O2S/c1-2-26(35-24-8-4-3-5-9-24)29(34)30-23-14-12-22(13-15-23)16-17-32-18-20-33(21-19-32)28-25-10-6-7-11-27(25)36-31-28/h3-15,26H,2,16-21H2,1H3,(H,30,34)