2-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-ethylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-ethylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-ethylphenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-ethylanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-ethylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-ethylphenyl)thiocarbamoyl-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C25H33N4OS+ MolecularWeight: 437.62072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC3=C(C=CC(=C3NC2=O)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC3=C(C=CC(=C3NC2=O)C)C

InChI

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