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

Systemtic Name: 2-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[anilino(sulfanylidene)methyl]-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl-(phenylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C23H29N4O3S+ MolecularWeight: 441.56636

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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)NC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(CC1=CC2=CC(=C(C=C2NC1=O)OC)OC)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O3S/c1-26(2)10-11-27(23(31)24-18-8-6-5-7-9-18)15-17-12-16-13-20(29-3)21(30-4)14-19(16)25-22(17)28/h5-9,12-14H,10-11,15H2,1-4H3,(H,24,31)(H,25,28)/p+1