(3-butyl-2-methyl-quinolin-4-yl) carbamimidothioate

Systemtic Name: (3-butyl-2-methyl-quinolin-4-yl) carbamimidothioate Openeye Name: 2-(3-butyl-2-methyl-4-quinolyl)isothiourea CAS Name: carbamimidothioic acid (3-butyl-2-methyl-4-quinolinyl) ester IUPAC Name: (3-butyl-2-methylquinolin-4-yl) carbamimidothioate Traditional Name: 2-(3-butyl-2-methyl-4-quinolyl)isothiourea Formula: C15H19N3S MolecularWeight: 273.39646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2N=C1C)SC(=N)N

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N=C1C)SC(=N)N

InChI

InChI=1S/C15H19N3S/c1-3-4-7-11-10(2)18-13-9-6-5-8-12(13)14(11)19-15(16)17/h5-6,8-9H,3-4,7H2,1-2H3,(H3,16,17)