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

Systemtic Name: 3-[[(4-fluorophenyl)methyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(4-fluorophenyl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(4-fluorophenyl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(4-fluorophenyl)methyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(4-fluorobenzyl)-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C24H30FN4O2S+ MolecularWeight: 457.584003

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC=C(C=C1)F)CC2=CC3=C(C=C(C=C3)OC)NC2=O

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC=C(C=C1)F)CC2=CC3=C(C=C(C=C3)OC)NC2=O

InChI

InChI=1S/C24H29FN4O2S/c1-28(2)12-4-11-26-24(32)29(15-17-5-8-20(25)9-6-17)16-19-13-18-7-10-21(31-3)14-22(18)27-23(19)30/h5-10,13-14H,4,11-12,15-16H2,1-3H3,(H,26,32)(H,27,30)/p+1