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

Systemtic Name: 2-[cyclohexylcarbamothioyl-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[cyclohexylcarbamothioyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(cyclohexylamino)-sulfanylidenemethyl]-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[cyclohexylcarbamothioyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[cyclohexylthiocarbamoyl-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]amino]ethyl-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(CC[NH+](C)C)C(=S)NC3CCCCC3

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3CCCCC3

InChI

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