N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-methyl-3-isoxazolyl)methylthio]benzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]-N-veratryl-benzamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N2O4S/c1-14-10-16(23-27-14)13-28-20-7-5-4-6-17(20)21(24)22-12-15-8-9-18(25-2)19(11-15)26-3/h4-11H,12-13H2,1-3H3,(H,22,24)