3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]propyl-diethyl-azanium Openeye Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]propyl-diethyl-ammonium CAS Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluoroanilino)-sulfanylidenemethyl]amino]propyl-diethylammonium IUPAC Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamothioyl]amino]propyl-diethylazanium Traditional Name: diethyl-[3-[(4-fluorophenyl)thiocarbamoyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]amino]propyl]ammonium Formula: C26H34FN4OS+ MolecularWeight: 469.637763

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2NC1=O)C)C)C(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2NC1=O)C)C)C(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C26H33FN4OS/c1-5-30(6-2)12-7-13-31(26(33)28-22-10-8-21(27)9-11-22)17-20-16-23-19(4)14-18(3)15-24(23)29-25(20)32/h8-11,14-16H,5-7,12-13,17H2,1-4H3,(H,28,33)(H,29,32)/p+1