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

Systemtic Name: 2-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(phenylmethyl)carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzylcarbamothioyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[benzylcarbamothioyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzylthiocarbamoyl-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2S/c1-26(2)11-12-27(23(30)24-15-17-7-5-4-6-8-17)16-19-13-18-14-20(29-3)9-10-21(18)25-22(19)28/h4-10,13-14H,11-12,15-16H2,1-3H3,(H,24,30)(H,25,28)/p+1