1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[[4-(methylthio)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[4-(methylthio)benzyl]isonipecotamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H25N3O2S/c1-24(15-16-7-9-18(28-2)10-8-16)21(26)17-11-13-25(14-12-17)22-23-19-5-3-4-6-20(19)27-22/h3-10,17H,11-15H2,1-2H3