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

Systemtic Name: 3-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Openeye Name: 3-[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide CAS Name: 3-[2-(cyanomethylthio)-4-oxo-3-quinazolinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide IUPAC Name: 3-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Traditional Name: 3-[2-(cyanomethylthio)-4-keto-quinazolin-3-yl]-N-homoveratryl-propionamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC#N)OC

InChI

InChI=1S/C23H24N4O4S/c1-30-19-8-7-16(15-20(19)31-2)9-12-25-21(28)10-13-27-22(29)17-5-3-4-6-18(17)26-23(27)32-14-11-24/h3-8,15H,9-10,12-14H2,1-2H3,(H,25,28)