3-[[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-thienylmethyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-(2-thenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C23H31N4OS2+ MolecularWeight: 443.64844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)C(=S)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)C(=S)NCCC[NH+](C)C)C

InChI

InChI=1S/C23H30N4OS2/c1-16-11-18-13-19(22(28)25-21(18)12-17(16)2)14-27(15-20-7-5-10-30-20)23(29)24-8-6-9-26(3)4/h5,7,10-13H,6,8-9,14-15H2,1-4H3,(H,24,29)(H,25,28)/p+1