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

Systemtic Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2-phenoxy-butanamide Openeye Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2-phenoxy-butanamide CAS Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-2-phenoxybutanamide IUPAC Name: N-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2-phenoxybutanamide Traditional Name: N-[3-[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=CC(=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43)OC5=CC=CC=C5

Isomeric SMILES

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

InChI

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