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

Systemtic Name: 2-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(phenylmethyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzylcarbamothioyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[benzylcarbamothioyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzylthiocarbamoyl-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NCC3=CC=CC=C3)C

InChI

InChI=1S/C24H30N4OS/c1-17-10-11-20-14-21(23(29)26-22(20)18(17)2)16-28(13-12-27(3)4)24(30)25-15-19-8-6-5-7-9-19/h5-11,14H,12-13,15-16H2,1-4H3,(H,25,30)(H,26,29)/p+1