3-[[(4-methoxyphenyl)methyl-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(4-methoxyphenyl)methyl-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(4-methoxyphenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(4-methoxyphenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(4-methoxyphenyl)methyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2-keto-6-methyl-1H-quinolin-3-yl)methyl-p-anisyl-thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C25H33N4O2S+ MolecularWeight: 453.62012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)OC)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)OC)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C25H32N4O2S/c1-18-6-11-23-20(14-18)15-21(24(30)27-23)17-29(25(32)26-12-5-13-28(2)3)16-19-7-9-22(31-4)10-8-19/h6-11,14-15H,5,12-13,16-17H2,1-4H3,(H,26,32)(H,27,30)/p+1