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

Systemtic Name: (2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanyl-propan-1-one Openeye Name: (2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(p-tolylsulfanyl)propan-1-one CAS Name: (2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-2-[(4-methylphenyl)thio]-1-propanone IUPAC Name: (2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: (2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-2-(p-tolylthio)propan-1-one Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS2/c1-16-7-9-18(10-8-16)27-17(2)22(26)25-13-11-24(12-14-25)15-21-23-19-5-3-4-6-20(19)28-21/h3-10,17H,11-15H2,1-2H3/t17-/m1/s1