3-[[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-p-anisyl-thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C26H35N4O2S+ MolecularWeight: 467.6467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O2S/c1-18-13-21-15-22(25(31)28-24(21)14-19(18)2)17-30(26(33)27-11-6-12-29(3)4)16-20-7-9-23(32-5)10-8-20/h7-10,13-15H,6,11-12,16-17H2,1-5H3,(H,27,33)(H,28,31)/p+1