3-(N,N'-diethylcarbamimidoyl)sulfanylquinoxaline-2-carboxylic acid

Systemtic Name: 3-(N,N'-diethylcarbamimidoyl)sulfanylquinoxaline-2-carboxylic acid Openeye Name: 3-(N,N'-diethylcarbamimidoyl)sulfanylquinoxaline-2-carboxylic acid CAS Name: 3-[[ethylamino(ethylimino)methyl]thio]-2-quinoxalinecarboxylic acid IUPAC Name: 3-(N,N'-diethylcarbamimidoyl)sulfanylquinoxaline-2-carboxylic acid Traditional Name: 3-[(N,N'-diethylamidino)thio]quinoxaline-2-carboxylic acid Formula: C14H16N4O2S MolecularWeight: 304.36744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC)SC1=NC2=CC=CC=C2N=C1C(=O)O

Isomeric SMILES

CCNC(=NCC)SC1=NC2=CC=CC=C2N=C1C(=O)O

InChI

InChI=1S/C14H16N4O2S/c1-3-15-14(16-4-2)21-12-11(13(19)20)17-9-7-5-6-8-10(9)18-12/h5-8H,3-4H2,1-2H3,(H,15,16)(H,19,20)