3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(ethylcarbamothioyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(ethylcarbamothioyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(ethylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[ethylamino(sulfanylidene)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(ethylcarbamothioyl)amino]propyl-dimethylazanium Traditional Name: 3-[ethylthiocarbamoyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C20H31N4OS+ MolecularWeight: 375.55134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4OS/c1-6-21-20(26)24(9-7-8-23(4)5)13-16-12-17-15(3)10-14(2)11-18(17)22-19(16)25/h10-12H,6-9,13H2,1-5H3,(H,21,26)(H,22,25)/p+1