3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[1-(phenylmethyl)piperidin-4-yl]benzamide

Systemtic Name: 3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[1-(phenylmethyl)piperidin-4-yl]benzamide Openeye Name: N-(1-benzyl-4-piperidyl)-3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide CAS Name: 3-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-[1-(phenylmethyl)-4-piperidinyl]benzamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(1-benzyl-4-piperidyl)-3-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]benzamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O2S/c1-20-10-11-26-25(16-20)30-28(33-26)34-19-22-8-5-9-23(17-22)27(32)29-24-12-14-31(15-13-24)18-21-6-3-2-4-7-21/h2-11,16-17,24H,12-15,18-19H2,1H3,(H,29,32)