1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(3-chlorophenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(3-chlorophenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-[(3-chlorophenyl)methylsulfanyl]ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-[(3-chlorophenyl)methylthio]ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(3-chlorophenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-2-[(3-chlorobenzyl)thio]ethanone Formula: C21H21ClN2OS2 MolecularWeight: 416.98724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CSCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CSCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H21ClN2OS2/c22-17-5-3-4-15(12-17)13-26-14-20(25)24-10-8-16(9-11-24)21-23-18-6-1-2-7-19(18)27-21/h1-7,12,16H,8-11,13-14H2