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

Systemtic Name: 2-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methylcarbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methylcarbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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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)NCC3CCCO3

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C22H32N4O2S/c1-4-16-7-8-20-17(12-16)13-18(21(27)24-20)15-26(10-9-25(2)3)22(29)23-14-19-6-5-11-28-19/h7-8,12-13,19H,4-6,9-11,14-15H2,1-3H3,(H,23,29)(H,24,27)/p+1/t19-/m1/s1