2-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2S)-oxolan-2-yl]methylcarbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2S)-oxolan-2-yl]methylcarbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2S)-tetrahydrofuran-2-yl]methylcarbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[[(2S)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2S)-oxolan-2-yl]methylcarbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl-[[(2S)-tetrahydrofuran-2-yl]methylthiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC[NH+](C)C)C(=S)NCC3CCCO3

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC[NH+](C)C)C(=S)NC[C@@H]3CCCO3

InChI

InChI=1S/C22H32N4O2S/c1-15-7-8-16(2)20-19(15)12-17(21(27)24-20)14-26(10-9-25(3)4)22(29)23-13-18-6-5-11-28-18/h7-8,12,18H,5-6,9-11,13-14H2,1-4H3,(H,23,29)(H,24,27)/p+1/t18-/m0/s1