3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methoxyethylamino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methoxyethylcarbamothioyl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl-(2-methoxyethylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2S/c1-15-11-16(2)18-13-17(20(26)23-19(18)12-15)14-25(9-6-8-24(3)4)21(28)22-7-10-27-5/h11-13H,6-10,14H2,1-5H3,(H,22,28)(H,23,26)/p+1