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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(3,4-dimethoxyphenyl)benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(3,4-dimethoxyphenyl)benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-(3,4-dimethoxyphenyl)benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(3,4-dimethoxyphenyl)benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-(3,4-dimethoxyphenyl)benzamide Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O4S/c1-27-20-12-11-16(13-21(20)28-2)24-22(26)17-8-4-3-7-15(17)14-30-23-25-18-9-5-6-10-19(18)29-23/h3-13H,14H2,1-2H3,(H,24,26)