2-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[isobutylcarbamothioyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(2-methylpropylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[isobutylthiocarbamoyl-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N(CC[NH+](C)C)CC1=CC2=C(C=C(C=C2)OC)NC1=O

Isomeric SMILES

CC(C)CNC(=S)N(CC[NH+](C)C)CC1=CC2=C(C=C(C=C2)OC)NC1=O

InChI

InChI=1S/C20H30N4O2S/c1-14(2)12-21-20(27)24(9-8-23(3)4)13-16-10-15-6-7-17(26-5)11-18(15)22-19(16)25/h6-7,10-11,14H,8-9,12-13H2,1-5H3,(H,21,27)(H,22,25)/p+1