3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methylcarbamothioyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methylcarbamothioyl]amino]propyl-diethyl-azanium Openeye Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioyl]amino]propyl-diethyl-ammonium CAS Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]propyl-diethylammonium IUPAC Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methylcarbamothioyl]amino]propyl-diethylazanium Traditional Name: diethyl-[3-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoyl]amino]propyl]ammonium Formula: C25H39N4O2S+ MolecularWeight: 459.66776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2NC1=O)C)C)C(=S)NCC3CCCO3

Isomeric SMILES

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2NC1=O)C)C)C(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C25H38N4O2S/c1-5-28(6-2)10-8-11-29(25(32)26-16-21-9-7-12-31-21)17-20-15-22-19(4)13-18(3)14-23(22)27-24(20)30/h13-15,21H,5-12,16-17H2,1-4H3,(H,26,32)(H,27,30)/p+1/t21-/m1/s1