2-quinolin-2-ylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-quinolin-2-ylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(2-quinolylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-(2-quinolinylthio)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-quinolin-2-ylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-(2-quinolylthio)-N-(3,4,5-trimethoxybenzyl)acetamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

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