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

Systemtic Name: diethyl-[2-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methylcarbamothioyl]amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methylcarbamothioyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoyl]amino]ethyl]ammonium Formula: C24H37N4O2S+ MolecularWeight: 445.64118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](CC)CC)C(=S)NCC3CCCO3

Isomeric SMILES

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

InChI

InChI=1S/C24H36N4O2S/c1-4-18-9-10-22-19(14-18)15-20(23(29)26-22)17-28(12-11-27(5-2)6-3)24(31)25-16-21-8-7-13-30-21/h9-10,14-15,21H,4-8,11-13,16-17H2,1-3H3,(H,25,31)(H,26,29)/p+1/t21-/m1/s1