3-[(4-ethoxyphenyl)carbamothioyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-ethoxyphenyl)carbamothioyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-ethoxyphenyl)carbamothioyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-ethoxyanilino)-sulfanylidenemethyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-ethoxyphenyl)carbamothioyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl-(p-phenetylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C25H33N4O2S+ MolecularWeight: 453.62012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC3=C(C=C(C=C3)C)NC2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC3=C(C=C(C=C3)C)NC2=O

InChI

InChI=1S/C25H32N4O2S/c1-5-31-22-11-9-21(10-12-22)26-25(32)29(14-6-13-28(3)4)17-20-16-19-8-7-18(2)15-23(19)27-24(20)30/h7-12,15-16H,5-6,13-14,17H2,1-4H3,(H,26,32)(H,27,30)/p+1