2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-homoveratryl-benzamide Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3)OC

InChI

InChI=1S/C25H24N2O4S/c1-29-22-12-11-17(15-23(22)30-2)13-14-26-24(28)19-8-4-3-7-18(19)16-32-25-27-20-9-5-6-10-21(20)31-25/h3-12,15H,13-14,16H2,1-2H3,(H,26,28)