2-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(phenylmethyl)carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(phenylmethyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzylcarbamothioyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[benzylcarbamothioyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzylthiocarbamoyl-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C24H30N4OS/c1-4-18-10-11-22-20(14-18)15-21(23(29)26-22)17-28(13-12-27(2)3)24(30)25-16-19-8-6-5-7-9-19/h5-11,14-15H,4,12-13,16-17H2,1-3H3,(H,25,30)(H,26,29)/p+1