2-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(phenethylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl-(phenethylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C25H33N4OS+ MolecularWeight: 437.62072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C25H32N4OS/c1-18-14-19(2)23-21(15-18)16-22(24(30)27-23)17-29(13-12-28(3)4)25(31)26-11-10-20-8-6-5-7-9-20/h5-9,14-16H,10-13,17H2,1-4H3,(H,26,31)(H,27,30)/p+1