N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-homoveratryl-N-methyl-2-(quinazolin-4-ylthio)acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C21H23N3O3S/c1-24(11-10-15-8-9-18(26-2)19(12-15)27-3)20(25)13-28-21-16-6-4-5-7-17(16)22-14-23-21/h4-9,12,14H,10-11,13H2,1-3H3