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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=C(C=C3)OC)NC2=O)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=C(C=C3)OC)NC2=O)C(=S)NCCC[NH+](C)C

InChI

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