1-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone

Systemtic Name: 1-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone Openeye Name: 1-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidyl]-2-(3-methylphenoxy)ethanone CAS Name: 1-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(3-methylphenoxy)ethanone IUPAC Name: 1-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone Traditional Name: 1-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidino]-2-(3-methylphenoxy)ethanone Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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