3-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(propylcarbamothioyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(propylcarbamothioyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(propylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[propylamino(sulfanylidene)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(propylcarbamothioyl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-(propylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C21H33N4OS+ MolecularWeight: 389.57792

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N(CCC[NH+](C)C)CC1=CC2=CC(=C(C=C2NC1=O)C)C

Isomeric SMILES

CCCNC(=S)N(CCC[NH+](C)C)CC1=CC2=CC(=C(C=C2NC1=O)C)C

InChI

InChI=1S/C21H32N4OS/c1-6-8-22-21(27)25(10-7-9-24(4)5)14-18-13-17-11-15(2)16(3)12-19(17)23-20(18)26/h11-13H,6-10,14H2,1-5H3,(H,22,27)(H,23,26)/p+1