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

Systemtic Name: 3-[[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(4-fluorobenzyl)-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C25H32FN4O3S+ MolecularWeight: 487.609983

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC=C(C=C1)F)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC=C(C=C1)F)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

InChI

InChI=1S/C25H31FN4O3S/c1-29(2)11-5-10-27-25(34)30(15-17-6-8-20(26)9-7-17)16-19-12-18-13-22(32-3)23(33-4)14-21(18)28-24(19)31/h6-9,12-14H,5,10-11,15-16H2,1-4H3,(H,27,34)(H,28,31)/p+1