1-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one

Systemtic Name: 1-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one Openeye Name: 1-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidyl]-3-(p-tolyl)propan-1-one CAS Name: 1-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidinyl]-3-(4-methylphenyl)-1-propanone IUPAC Name: 1-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one Traditional Name: 1-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidino]-3-(p-tolyl)propan-1-one Formula: C22H23ClN2OS MolecularWeight: 398.94882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)N2CCC(CC2)C3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N2CCC(CC2)C3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C22H23ClN2OS/c1-15-2-4-16(5-3-15)6-9-21(26)25-12-10-17(11-13-25)22-24-19-14-18(23)7-8-20(19)27-22/h2-5,7-8,14,17H,6,9-13H2,1H3