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

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-methylphenyl)sulfanyl-propan-1-one Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(p-tolylsulfanyl)propan-1-one CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-[(4-methylphenyl)thio]-1-propanone IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-3-(p-tolylthio)propan-1-one Formula: C22H24N2OS2 MolecularWeight: 396.56876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N2OS2/c1-16-8-10-18(11-9-16)26-14-12-21(25)24-13-4-5-17(15-24)22-23-19-6-2-3-7-20(19)27-22/h2-3,6-11,17H,4-5,12-15H2,1H3/t17-/m1/s1