2-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylsulfanylpropyl)-1,3-benzoxazole-6-carboxamide

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylsulfanylpropyl)-1,3-benzoxazole-6-carboxamide Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylsulfanylpropyl)-1,3-benzoxazole-6-carboxamide CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[3-(methylthio)propyl]-1,3-benzoxazole-6-carboxamide IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylsulfanylpropyl)-1,3-benzoxazole-6-carboxamide Traditional Name: N-[3-(methylthio)propyl]-2-veratryl-1,3-benzoxazole-6-carboxamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)NCCCSC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)NCCCSC)OC

InChI

InChI=1S/C21H24N2O4S/c1-25-17-8-5-14(11-19(17)26-2)12-20-23-16-7-6-15(13-18(16)27-20)21(24)22-9-4-10-28-3/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,22,24)