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

Systemtic Name: 3-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(2,5-diethoxy-4-morpholino-phenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[2,5-diethoxy-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(2,5-diethoxy-4-morpholino-phenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C20H35N4O3S+ MolecularWeight: 411.5819

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C20H34N4O3S/c1-5-26-18-15-17(24-10-12-25-13-11-24)19(27-6-2)14-16(18)22-20(28)21-8-7-9-23(3)4/h14-15H,5-13H2,1-4H3,(H2,21,22,28)/p+1