[8-methoxy-2-methyl-3-(2-oxidanylidenepropyl)quinolin-4-yl] carbamimidothioate hydrochloride

Systemtic Name: [8-methoxy-2-methyl-3-(2-oxidanylidenepropyl)quinolin-4-yl] carbamimidothioate hydrochloride Openeye Name: 2-(3-acetonyl-8-methoxy-2-methyl-4-quinolyl)isothiourea hydrochloride CAS Name: carbamimidothioic acid [8-methoxy-2-methyl-3-(2-oxopropyl)-4-quinolinyl] ester hydrochloride IUPAC Name: [8-methoxy-2-methyl-3-(2-oxopropyl)quinolin-4-yl] carbamimidothioate hydrochloride Traditional Name: 2-(3-acetonyl-8-methoxy-2-methyl-4-quinolyl)isothiourea hydrochloride Formula: C15H18ClN3O2S MolecularWeight: 339.84032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC)C(=C1CC(=O)C)SC(=N)N.Cl

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC)C(=C1CC(=O)C)SC(=N)N.Cl

InChI

InChI=1S/C15H17N3O2S.ClH/c1-8(19)7-11-9(2)18-13-10(14(11)21-15(16)17)5-4-6-12(13)20-3;/h4-6H,7H2,1-3H3,(H3,16,17);1H