3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropylcarbamothioyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropylcarbamothioyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholinopropylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[3-(4-morpholinyl)propylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropylcarbamothioyl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl-(3-morpholinopropylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C25H40N5O2S+ MolecularWeight: 474.6824

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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)NCCCN3CCOCC3)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCC[NH+](C)C)C(=S)NCCCN3CCOCC3)C

InChI

InChI=1S/C25H39N5O2S/c1-19-15-20(2)22-17-21(24(31)27-23(22)16-19)18-30(10-6-8-28(3)4)25(33)26-7-5-9-29-11-13-32-14-12-29/h15-17H,5-14,18H2,1-4H3,(H,26,33)(H,27,31)/p+1