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

Systemtic Name: 3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]propyl-diethyl-azanium Openeye Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]propyl-diethyl-ammonium CAS Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(phenethylamino)-sulfanylidenemethyl]amino]propyl-diethylammonium IUPAC Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(phenethylcarbamothioyl)amino]propyl-diethylazanium Traditional Name: diethyl-[3-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl-(phenethylthiocarbamoyl)amino]propyl]ammonium Formula: C28H39N4OS+ MolecularWeight: 479.70046

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2NC1=O)C)C)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2NC1=O)C)C)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C28H38N4OS/c1-5-31(6-2)15-10-16-32(28(34)29-14-13-23-11-8-7-9-12-23)20-24-19-25-22(4)17-21(3)18-26(25)30-27(24)33/h7-9,11-12,17-19H,5-6,10,13-16,20H2,1-4H3,(H,29,34)(H,30,33)/p+1