1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-chloranyl-3-methyl-phenoxy)ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-chloranyl-3-methyl-phenoxy)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(4-chloro-3-methyl-phenoxy)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(4-chloro-3-methylphenoxy)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-chloro-3-methylphenoxy)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-2-(4-chloro-3-methyl-phenoxy)ethanone Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-14-12-16(6-7-17(14)22)26-13-20(25)24-10-8-15(9-11-24)21-23-18-4-2-3-5-19(18)27-21/h2-7,12,15H,8-11,13H2,1H3