3-[[2,5-diethoxy-4-[(4-methylphenyl)carbonylamino]phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2,5-diethoxy-4-[(4-methylphenyl)carbonylamino]phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[2,5-diethoxy-4-[[(4-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[2,5-diethoxy-4-(p-toluoylamino)phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C24H35N4O3S+ MolecularWeight: 459.6247

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)C)OCC)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)C)OCC)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C24H34N4O3S/c1-6-30-21-16-20(27-24(32)25-13-8-14-28(4)5)22(31-7-2)15-19(21)26-23(29)18-11-9-17(3)10-12-18/h9-12,15-16H,6-8,13-14H2,1-5H3,(H,26,29)(H2,25,27,32)/p+1