3-[[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(4-fluorobenzyl)-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C25H32FN4OS+ MolecularWeight: 455.611183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=S)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=S)NCCC[NH+](C)C)C

InChI

InChI=1S/C25H31FN4OS/c1-17-12-20-14-21(24(31)28-23(20)13-18(17)2)16-30(15-19-6-8-22(26)9-7-19)25(32)27-10-5-11-29(3)4/h6-9,12-14H,5,10-11,15-16H2,1-4H3,(H,27,32)(H,28,31)/p+1