3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-diethyl-azanium Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-diethylammonium IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-diethylazanium Traditional Name: diethyl-[3-[homoveratrylthiocarbamoyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]amino]propyl]ammonium Formula: C30H43N4O3S+ MolecularWeight: 539.75242

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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(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H42N4O3S/c1-7-33(8-2)14-9-15-34(20-24-19-25-22(4)16-21(3)17-26(25)32-29(24)35)30(38)31-13-12-23-10-11-27(36-5)28(18-23)37-6/h10-11,16-19H,7-9,12-15,20H2,1-6H3,(H,31,38)(H,32,35)/p+1