diethyl-[3-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(methylcarbamothioyl)amino]propyl]azanium

Systemtic Name: diethyl-[3-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(methylcarbamothioyl)amino]propyl]azanium Openeye Name: diethyl-[3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(methylcarbamothioyl)amino]propyl]ammonium CAS Name: diethyl-[3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[methylamino(sulfanylidene)methyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(methylcarbamothioyl)amino]propyl]azanium Traditional Name: diethyl-[3-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl-(methylthiocarbamoyl)amino]propyl]ammonium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NC

Isomeric SMILES

CC[NH+](CC)CCCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NC

InChI

InChI=1S/C20H30N4O2S/c1-5-23(6-2)10-7-11-24(20(27)21-3)14-16-12-15-8-9-17(26-4)13-18(15)22-19(16)25/h8-9,12-13H,5-7,10-11,14H2,1-4H3,(H,21,27)(H,22,25)/p+1