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

Systemtic Name: 3-[[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1,3-benzodioxol-5-ylmethyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl-piperonyl-thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C26H33N4O5S+ MolecularWeight: 513.62902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=CC(=C(C=C4NC3=O)OC)OC

InChI

InChI=1S/C26H32N4O5S/c1-29(2)9-5-8-27-26(36)30(14-17-6-7-21-24(10-17)35-16-34-21)15-19-11-18-12-22(32-3)23(33-4)13-20(18)28-25(19)31/h6-7,10-13H,5,8-9,14-16H2,1-4H3,(H,27,36)(H,28,31)/p+1