1-[4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxamide CAS Name: 1-[[4-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxamide Traditional Name: 1-[4-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]benzoyl]isonipecotamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C22H23N3O3S/c1-14-2-7-19-18(12-14)24-22(28-19)29-13-15-3-5-17(6-4-15)21(27)25-10-8-16(9-11-25)20(23)26/h2-7,12,16H,8-11,13H2,1H3,(H2,23,26)