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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide Traditional Name: N-homoveratryl-4-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]benzamide Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=C(C=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=C(C=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H26N2O4S/c1-17-5-4-6-22-24(17)28-26(32-22)33-16-19-7-10-20(11-8-19)25(29)27-14-13-18-9-12-21(30-2)23(15-18)31-3/h4-12,15H,13-14,16H2,1-3H3,(H,27,29)