3-[[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[benzyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[benzyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[benzyl-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-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(CC3=CC=CC=C3)C(=S)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NCCC[NH+](C)C)C

InChI

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