(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)propan-1-one

Systemtic Name: (2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)propan-1-one Openeye Name: (2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)propan-1-one CAS Name: (2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-2-(3-methylphenoxy)-1-propanone IUPAC Name: (2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)propan-1-one Traditional Name: (2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-2-(3-methylphenoxy)propan-1-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=CC=C1)O[C@H](C)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S/c1-16-6-5-7-18(14-16)27-17(2)22(26)25-12-10-24(11-13-25)15-21-23-19-8-3-4-9-20(19)28-21/h3-9,14,17H,10-13,15H2,1-2H3/t17-/m1/s1