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

Systemtic Name: 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[1-(phenylmethyl)piperidin-4-yl]benzamide Openeye Name: N-(1-benzyl-4-piperidyl)-3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide CAS Name: 3-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-[1-(phenylmethyl)-4-piperidinyl]benzamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(1-benzyl-4-piperidyl)-3-[[(4-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=C2C(=CC=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

InChI

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