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

Systemtic Name: 3-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(furan-2-ylmethylcarbamothioyl)amino]propyl-diethyl-azanium Openeye Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-furylmethylcarbamothioyl)amino]propyl-diethyl-ammonium CAS Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-furanylmethylamino)-sulfanylidenemethyl]amino]propyl-diethylammonium IUPAC Name: 3-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethylcarbamothioyl)amino]propyl-diethylazanium Traditional Name: diethyl-[3-[2-furfurylthiocarbamoyl-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]amino]propyl]ammonium Formula: C25H35N4O2S+ MolecularWeight: 455.636

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2NC1=O)C)C)C(=S)NCC3=CC=CO3

Isomeric SMILES

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2NC1=O)C)C)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C25H34N4O2S/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/h7,9,12-15H,5-6,8,10-11,16-17H2,1-4H3,(H,26,32)(H,27,30)/p+1