2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-(2,4,5-trimethoxybenzyl)acetamide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)CSCC2=NC3=CC=CC=C3S2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)CSCC2=NC3=CC=CC=C3S2)OC)OC

InChI

InChI=1S/C20H22N2O4S2/c1-24-15-9-17(26-3)16(25-2)8-13(15)10-21-19(23)11-27-12-20-22-14-6-4-5-7-18(14)28-20/h4-9H,10-12H2,1-3H3,(H,21,23)