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

Systemtic Name: 3-[[cyclohexyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[cyclohexyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[cyclohexyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[cyclohexyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[cyclohexyl-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C3CCCCC3

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C3CCCCC3

InChI

InChI=1S/C23H34N4O2S/c1-26(2)13-7-12-24-23(30)27(19-8-5-4-6-9-19)16-18-14-17-10-11-20(29-3)15-21(17)25-22(18)28/h10-11,14-15,19H,4-9,12-13,16H2,1-3H3,(H,24,30)(H,25,28)/p+1