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

Systemtic Name: (3-butyl-2-methyl-quinolin-4-yl) carbamimidothioate hydrochloride Openeye Name: 2-(3-butyl-2-methyl-4-quinolyl)isothiourea hydrochloride CAS Name: carbamimidothioic acid (3-butyl-2-methyl-4-quinolinyl) ester hydrochloride IUPAC Name: (3-butyl-2-methylquinolin-4-yl) carbamimidothioate hydrochloride Traditional Name: 2-(3-butyl-2-methyl-4-quinolyl)isothiourea hydrochloride Formula: C15H20ClN3S MolecularWeight: 309.8574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3S.ClH/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);1H