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

Systemtic Name: 3-(N,N'-dipropylcarbamimidoyl)sulfanylquinoxaline-2-carboxylic acid Openeye Name: 3-(N,N'-dipropylcarbamimidoyl)sulfanylquinoxaline-2-carboxylic acid CAS Name: 3-[[propylamino(propylimino)methyl]thio]-2-quinoxalinecarboxylic acid IUPAC Name: 3-(N,N'-dipropylcarbamimidoyl)sulfanylquinoxaline-2-carboxylic acid Traditional Name: 3-[(N,N'-dipropylamidino)thio]quinoxaline-2-carboxylic acid Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=NCCC)SC1=NC2=CC=CC=C2N=C1C(=O)O

Isomeric SMILES

CCCNC(=NCCC)SC1=NC2=CC=CC=C2N=C1C(=O)O

InChI

InChI=1S/C16H20N4O2S/c1-3-9-17-16(18-10-4-2)23-14-13(15(21)22)19-11-7-5-6-8-12(11)20-14/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)(H,21,22)