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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3NC2=S)OC

InChI

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