2-[cyclohexylcarbamothioyl-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[cyclohexylcarbamothioyl-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[cyclohexylcarbamothioyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(cyclohexylamino)-sulfanylidenemethyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[cyclohexylcarbamothioyl-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[cyclohexylthiocarbamoyl-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C23H35N4OS+ MolecularWeight: 415.6152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NC3CCCCC3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NC3CCCCC3)C

InChI

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