N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-homoveratryl-2-[(5-methyl-1,3-benzothiazol-2-yl)thio]acetamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H22N2O3S2/c1-13-4-7-18-15(10-13)22-20(27-18)26-12-19(23)21-9-8-14-5-6-16(24-2)17(11-14)25-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,23)