dimethyl-[2-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylcarbamothioyl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylcarbamothioyl)amino]ethyl]azanium Openeye Name: dimethyl-[2-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamothioyl)amino]ethyl]ammonium CAS Name: 2-[[anilino(sulfanylidene)methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: dimethyl-[2-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamothioyl)amino]ethyl]azanium Traditional Name: 2-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl-(phenylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-16-8-7-9-17-14-18(21(27)24-20(16)17)15-26(13-12-25(2)3)22(28)23-19-10-5-4-6-11-19/h4-11,14H,12-13,15H2,1-3H3,(H,23,28)(H,24,27)/p+1