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

Systemtic Name: 4-[[2,3-bis(oxidanylidene)-4-prop-2-enyl-quinoxalin-1-yl]methyl]-N-(3-propylsulfanylpropyl)benzamide Openeye Name: 4-[(4-allyl-2,3-dioxo-quinoxalin-1-yl)methyl]-N-(3-propylsulfanylpropyl)benzamide CAS Name: 4-[(2,3-dioxo-4-prop-2-enyl-1-quinoxalinyl)methyl]-N-[3-(propylthio)propyl]benzamide IUPAC Name: 4-[(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)methyl]-N-(3-propylsulfanylpropyl)benzamide Traditional Name: 4-[(4-allyl-2,3-diketo-quinoxalin-1-yl)methyl]-N-[3-(propylthio)propyl]benzamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C(=O)C2=O)CC=C

Isomeric SMILES

CCCSCCCNC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C(=O)C2=O)CC=C

InChI

InChI=1S/C25H29N3O3S/c1-3-15-27-21-8-5-6-9-22(21)28(25(31)24(27)30)18-19-10-12-20(13-11-19)23(29)26-14-7-17-32-16-4-2/h3,5-6,8-13H,1,4,7,14-18H2,2H3,(H,26,29)