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

Systemtic Name: dimethyl-[3-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]propyl]azanium Openeye Name: 3-[isobutylcarbamothioyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methylpropylamino)-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]propyl]azanium Traditional Name: 3-[isobutylthiocarbamoyl-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C21H33N4OS+ MolecularWeight: 389.57792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCC[NH+](C)C)C(=S)NCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCC[NH+](C)C)C(=S)NCC(C)C

InChI

InChI=1S/C21H32N4OS/c1-15(2)13-22-21(27)25(10-6-9-24(4)5)14-18-12-17-8-7-16(3)11-19(17)23-20(18)26/h7-8,11-12,15H,6,9-10,13-14H2,1-5H3,(H,22,27)(H,23,26)/p+1