3-[[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-piperonyl-thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C26H33N4O3S+ MolecularWeight: 481.63022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NCCC[NH+](C)C)C

InChI

InChI=1S/C26H32N4O3S/c1-17-10-20-13-21(25(31)28-22(20)11-18(17)2)15-30(26(34)27-8-5-9-29(3)4)14-19-6-7-23-24(12-19)33-16-32-23/h6-7,10-13H,5,8-9,14-16H2,1-4H3,(H,27,34)(H,28,31)/p+1