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

Systemtic Name: dimethyl-[2-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(phenylmethyl)carbamothioyl]amino]ethyl]azanium Openeye Name: 2-[benzylcarbamothioyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: 2-[benzylcarbamothioyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzylthiocarbamoyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+](C)C)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4OS/c1-17-8-7-11-19-14-20(22(28)25-21(17)19)16-27(13-12-26(2)3)23(29)24-15-18-9-5-4-6-10-18/h4-11,14H,12-13,15-16H2,1-3H3,(H,24,29)(H,25,28)/p+1