2-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(3-methoxypropylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl-(3-methoxypropylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC[NH+](C)C)C(=S)NCCCOC

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC[NH+](C)C)C(=S)NCCCOC

InChI

InChI=1S/C21H32N4O2S/c1-15-7-8-16(2)19-18(15)13-17(20(26)23-19)14-25(11-10-24(3)4)21(28)22-9-6-12-27-5/h7-8,13H,6,9-12,14H2,1-5H3,(H,22,28)(H,23,26)/p+1