(2,8-dimethyl-3-prop-2-enyl-quinolin-4-yl) carbamimidothioate hydrochloride

Systemtic Name: (2,8-dimethyl-3-prop-2-enyl-quinolin-4-yl) carbamimidothioate hydrochloride Openeye Name: 2-(3-allyl-2,8-dimethyl-4-quinolyl)isothiourea hydrochloride CAS Name: carbamimidothioic acid (2,8-dimethyl-3-prop-2-enyl-4-quinolinyl) ester hydrochloride IUPAC Name: (2,8-dimethyl-3-prop-2-enylquinolin-4-yl) carbamimidothioate hydrochloride Traditional Name: 2-(3-allyl-2,8-dimethyl-4-quinolyl)isothiourea hydrochloride Formula: C15H18ClN3S MolecularWeight: 307.84152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2SC(=N)N)CC=C)C.Cl

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2SC(=N)N)CC=C)C.Cl

InChI

InChI=1S/C15H17N3S.ClH/c1-4-6-11-10(3)18-13-9(2)7-5-8-12(13)14(11)19-15(16)17;/h4-5,7-8H,1,6H2,2-3H3,(H3,16,17);1H