(3-methylquinoxalin-2-yl) N'-butylcarbamimidothioate

Systemtic Name: (3-methylquinoxalin-2-yl) N'-butylcarbamimidothioate Openeye Name: 3-butyl-2-(3-methylquinoxalin-2-yl)isothiourea CAS Name: N'-butylcarbamimidothioic acid (3-methyl-2-quinoxalinyl) ester IUPAC Name: (3-methylquinoxalin-2-yl) N'-butylcarbamimidothioate Traditional Name: 3-butyl-2-(3-methylquinoxalin-2-yl)isothiourea Formula: C14H18N4S MolecularWeight: 274.38452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(N)SC1=NC2=CC=CC=C2N=C1C

Isomeric SMILES

CCCCN=C(N)SC1=NC2=CC=CC=C2N=C1C

InChI

InChI=1S/C14H18N4S/c1-3-4-9-16-14(15)19-13-10(2)17-11-7-5-6-8-12(11)18-13/h5-8H,3-4,9H2,1-2H3,(H2,15,16)