diethyl-[2-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl]azanium Openeye Name: diethyl-[2-[isobutylcarbamothioyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methylpropylamino)-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[isobutylthiocarbamoyl-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]amino]ethyl]ammonium Formula: C22H35N4OS+ MolecularWeight: 403.6045

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC1=CC2=C(C=C(C=C2)C)NC1=O)C(=S)NCC(C)C

Isomeric SMILES

CC[NH+](CC)CCN(CC1=CC2=C(C=C(C=C2)C)NC1=O)C(=S)NCC(C)C

InChI

InChI=1S/C22H34N4OS/c1-6-25(7-2)10-11-26(22(28)23-14-16(3)4)15-19-13-18-9-8-17(5)12-20(18)24-21(19)27/h8-9,12-13,16H,6-7,10-11,14-15H2,1-5H3,(H,23,28)(H,24,27)/p+1