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

Systemtic Name: 1-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone Openeye Name: 1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone CAS Name: 1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(3-methylphenoxy)ethanone IUPAC Name: 1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone Traditional Name: 1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazino]-2-(3-methylphenoxy)ethanone Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4C)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4C)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-14-4-3-5-16(12-14)27-13-19(26)24-8-10-25(11-9-24)21-23-20-15(2)17(22)6-7-18(20)28-21/h3-7,12H,8-11,13H2,1-2H3