3-[2,3-bis(oxidanylidene)-4-prop-2-enyl-quinoxalin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]propanamide

Systemtic Name: 3-[2,3-bis(oxidanylidene)-4-prop-2-enyl-quinoxalin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]propanamide Openeye Name: 3-(4-allyl-2,3-dioxo-quinoxalin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide CAS Name: 3-(2,3-dioxo-4-prop-2-enyl-1-quinoxalinyl)-N-[[4-(methylthio)phenyl]methyl]propanamide IUPAC Name: 3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide Traditional Name: 3-(4-allyl-2,3-diketo-quinoxalin-1-yl)-N-[4-(methylthio)benzyl]propionamide Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)CCN2C3=CC=CC=C3N(C(=O)C2=O)CC=C

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)CCN2C3=CC=CC=C3N(C(=O)C2=O)CC=C

InChI

InChI=1S/C22H23N3O3S/c1-3-13-24-18-6-4-5-7-19(18)25(22(28)21(24)27)14-12-20(26)23-15-16-8-10-17(29-2)11-9-16/h3-11H,1,12-15H2,2H3,(H,23,26)