2-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-ethylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-ethylphenyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-ethylphenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-ethylanilino)-sulfanylidenemethyl]-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-ethylphenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-[(4-ethylphenyl)thiocarbamoyl]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(=C3)CC)NC2=O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CC[NH+](C)C)CC2=CC3=C(C=CC(=C3)CC)NC2=O

InChI

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