3-[[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl-p-anisyl-thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C25H33N4O3S+ MolecularWeight: 469.61952

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC=C(C=C1)OC)CC2=CC3=C(C=CC(=C3)OC)NC2=O

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC=C(C=C1)OC)CC2=CC3=C(C=CC(=C3)OC)NC2=O

InChI

InChI=1S/C25H32N4O3S/c1-28(2)13-5-12-26-25(33)29(16-18-6-8-21(31-3)9-7-18)17-20-14-19-15-22(32-4)10-11-23(19)27-24(20)30/h6-11,14-15H,5,12-13,16-17H2,1-4H3,(H,26,33)(H,27,30)/p+1