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

Systemtic Name: dimethyl-[2-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(3-methylphenyl)carbamothioyl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(m-tolylcarbamothioyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[[(3-methylanilino)-sulfanylidenemethyl]-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-[(3-methylphenyl)carbamothioyl]amino]ethyl]azanium Traditional Name: 2-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl-(m-tolylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N(CC[NH+](C)C)CC2=CC3=C(C=CC(=C3)C)NC2=O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N(CC[NH+](C)C)CC2=CC3=C(C=CC(=C3)C)NC2=O

InChI

InChI=1S/C23H28N4OS/c1-16-6-5-7-20(13-16)24-23(29)27(11-10-26(3)4)15-19-14-18-12-17(2)8-9-21(18)25-22(19)28/h5-9,12-14H,10-11,15H2,1-4H3,(H,24,29)(H,25,28)/p+1