2-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(phenylmethyl)carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(phenylmethyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzylcarbamothioyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[benzylcarbamothioyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzylthiocarbamoyl-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C24H31N4O3S+ MolecularWeight: 455.59294

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC2=CC(=C(C=C2NC1=O)OC)OC)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(CC1=CC2=CC(=C(C=C2NC1=O)OC)OC)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C24H30N4O3S/c1-27(2)10-11-28(24(32)25-15-17-8-6-5-7-9-17)16-19-12-18-13-21(30-3)22(31-4)14-20(18)26-23(19)29/h5-9,12-14H,10-11,15-16H2,1-4H3,(H,25,32)(H,26,29)/p+1