3-[[cyclopentyl-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[cyclopentyl-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[cyclopentyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[cyclopentyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[cyclopentyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[cyclopentyl-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C23H35N4OS+ MolecularWeight: 415.6152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C23H34N4OS/c1-4-17-10-11-21-18(14-17)15-19(22(28)25-21)16-27(20-8-5-6-9-20)23(29)24-12-7-13-26(2)3/h10-11,14-15,20H,4-9,12-13,16H2,1-3H3,(H,24,29)(H,25,28)/p+1