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

Systemtic Name: 3-(N,N'-dibutylcarbamimidoyl)sulfanylquinoxaline-2-carboxylic acid Openeye Name: 3-(N,N'-dibutylcarbamimidoyl)sulfanylquinoxaline-2-carboxylic acid CAS Name: 3-[[butylamino(butylimino)methyl]thio]-2-quinoxalinecarboxylic acid IUPAC Name: 3-(N,N'-dibutylcarbamimidoyl)sulfanylquinoxaline-2-carboxylic acid Traditional Name: 3-[(N,N'-dibutylamidino)thio]quinoxaline-2-carboxylic acid Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=NCCCC)SC1=NC2=CC=CC=C2N=C1C(=O)O

Isomeric SMILES

CCCCNC(=NCCCC)SC1=NC2=CC=CC=C2N=C1C(=O)O

InChI

InChI=1S/C18H24N4O2S/c1-3-5-11-19-18(20-12-6-4-2)25-16-15(17(23)24)21-13-9-7-8-10-14(13)22-16/h7-10H,3-6,11-12H2,1-2H3,(H,19,20)(H,23,24)