N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-1H-quinazolin-2-yl)thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide Traditional Name: N-homoveratryl-2-[(4-keto-1H-quinazolin-2-yl)thio]acetamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC(=O)C3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC(=O)C3=CC=CC=C3N2)OC

InChI

InChI=1S/C20H21N3O4S/c1-26-16-8-7-13(11-17(16)27-2)9-10-21-18(24)12-28-20-22-15-6-4-3-5-14(15)19(25)23-20/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,23,25)