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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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