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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C21H23N3O3S/c1-4-24(12-15-9-10-18(26-2)19(11-15)27-3)20(25)13-28-21-16-7-5-6-8-17(16)22-14-23-21/h5-11,14H,4,12-13H2,1-3H3