N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-homoveratryl-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]propionamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C22H25N3O4S/c1-14(30-22-24-17-8-6-5-7-16(17)21(27)25(22)2)20(26)23-12-11-15-9-10-18(28-3)19(13-15)29-4/h5-10,13-14H,11-12H2,1-4H3,(H,23,26)