[6-bromanyl-2-methyl-3-(3-oxidanylidenebutyl)quinolin-4-yl] carbamimidothioate hydrochloride

Systemtic Name: [6-bromanyl-2-methyl-3-(3-oxidanylidenebutyl)quinolin-4-yl] carbamimidothioate hydrochloride Openeye Name: 2-[6-bromo-2-methyl-3-(3-oxobutyl)-4-quinolyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid [6-bromo-2-methyl-3-(3-oxobutyl)-4-quinolinyl] ester hydrochloride IUPAC Name: [6-bromo-2-methyl-3-(3-oxobutyl)quinolin-4-yl] carbamimidothioate hydrochloride Traditional Name: 2-[6-bromo-3-(3-ketobutyl)-2-methyl-4-quinolyl]isothiourea hydrochloride Formula: C15H17BrClN3OS MolecularWeight: 402.73698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Br)C(=C1CCC(=O)C)SC(=N)N.Cl

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Br)C(=C1CCC(=O)C)SC(=N)N.Cl

InChI

InChI=1S/C15H16BrN3OS.ClH/c1-8(20)3-5-11-9(2)19-13-6-4-10(16)7-12(13)14(11)21-15(17)18;/h4,6-7H,3,5H2,1-2H3,(H3,17,18);1H