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

Systemtic Name: 3-[[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-thienylmethyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl-(2-thenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C23H31N4O3S2+ MolecularWeight: 475.64724

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC=CS1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC=CS1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

InChI

InChI=1S/C23H30N4O3S2/c1-26(2)9-6-8-24-23(31)27(15-18-7-5-10-32-18)14-17-11-16-12-20(29-3)21(30-4)13-19(16)25-22(17)28/h5,7,10-13H,6,8-9,14-15H2,1-4H3,(H,24,31)(H,25,28)/p+1