2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanone CAS Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(5-chloro-1,3-benzoxazol-2-yl)thio]ethanone Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=C(O3)C=CC(=C4)Cl

InChI

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