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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-homoveratryl-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)OC

InChI

InChI=1S/C21H23N3O4S/c1-27-17-8-7-14(13-18(17)28-2)9-11-22-19(25)10-12-24-20(26)15-5-3-4-6-16(15)23-21(24)29/h3-8,13H,9-12H2,1-2H3,(H,22,25)(H,23,29)