3-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methylphenyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methylphenyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(p-tolylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methylanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methylphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl-(p-tolylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C25H33N4OS+ MolecularWeight: 437.62072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC3=C(C(=C(C=C3)C)C)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC3=C(C(=C(C=C3)C)C)NC2=O

InChI

InChI=1S/C25H32N4OS/c1-17-7-11-22(12-8-17)26-25(31)29(14-6-13-28(4)5)16-21-15-20-10-9-18(2)19(3)23(20)27-24(21)30/h7-12,15H,6,13-14,16H2,1-5H3,(H,26,31)(H,27,30)/p+1