(8-chloranyl-2-methyl-3-propyl-quinolin-4-yl) carbamimidothioate hydrochloride

Systemtic Name: (8-chloranyl-2-methyl-3-propyl-quinolin-4-yl) carbamimidothioate hydrochloride Openeye Name: 2-(8-chloro-2-methyl-3-propyl-4-quinolyl)isothiourea hydrochloride CAS Name: carbamimidothioic acid (8-chloro-2-methyl-3-propyl-4-quinolinyl) ester hydrochloride IUPAC Name: (8-chloro-2-methyl-3-propylquinolin-4-yl) carbamimidothioate hydrochloride Traditional Name: 2-(8-chloro-2-methyl-3-propyl-4-quinolyl)isothiourea hydrochloride Formula: C14H17Cl2N3S MolecularWeight: 330.27588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C(=CC=C2)Cl)N=C1C)SC(=N)N.Cl

Isomeric SMILES

CCCC1=C(C2=C(C(=CC=C2)Cl)N=C1C)SC(=N)N.Cl

InChI

InChI=1S/C14H16ClN3S.ClH/c1-3-5-9-8(2)18-12-10(6-4-7-11(12)15)13(9)19-14(16)17;/h4,6-7H,3,5H2,1-2H3,(H3,16,17);1H