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

Systemtic Name: 3-[[1,3-benzodioxol-5-ylmethyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[1,3-benzodioxol-5-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[1,3-benzodioxol-5-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1,3-benzodioxol-5-ylmethyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl-piperonyl-thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C25H31N4O4S+ MolecularWeight: 483.60304

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=C(C=C(C=C4)OC)NC3=O

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC2=C(C=C1)OCO2)CC3=CC4=C(C=C(C=C4)OC)NC3=O

InChI

InChI=1S/C25H30N4O4S/c1-28(2)10-4-9-26-25(34)29(14-17-5-8-22-23(11-17)33-16-32-22)15-19-12-18-6-7-20(31-3)13-21(18)27-24(19)30/h5-8,11-13H,4,9-10,14-16H2,1-3H3,(H,26,34)(H,27,30)/p+1