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

Systemtic Name: dimethyl-[2-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl]azanium Openeye Name: 2-[isobutylcarbamothioyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methylpropylamino)-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl]azanium Traditional Name: 2-[isobutylthiocarbamoyl-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C20H31N4OS+ MolecularWeight: 375.55134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NCC(C)C

InChI

InChI=1S/C20H30N4OS/c1-14(2)12-21-20(26)24(9-8-23(4)5)13-17-11-16-10-15(3)6-7-18(16)22-19(17)25/h6-7,10-11,14H,8-9,12-13H2,1-5H3,(H,21,26)(H,22,25)/p+1