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

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[(4-chlorophenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-[(4-chlorophenyl)methylsulfanyl]ethanone CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-[(4-chlorophenyl)methylthio]ethanone IUPAC Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[(4-chlorophenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(1,3-benzoxazol-2-yl)piperidino]-2-[(4-chlorobenzyl)thio]ethanone Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CSCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CSCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2O2S/c22-17-7-5-15(6-8-17)13-27-14-20(25)24-11-9-16(10-12-24)21-23-18-3-1-2-4-19(18)26-21/h1-8,16H,9-14H2