3-[(2,4-dimorpholin-4-ylphenyl)carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2,4-dimorpholin-4-ylphenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(2,4-dimorpholinophenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[2,4-bis(4-morpholinyl)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(2,4-dimorpholin-4-ylphenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(2,4-dimorpholinophenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C20H34N5O2S+ MolecularWeight: 408.58126

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=C(C=C(C=C1)N2CCOCC2)N3CCOCC3

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=C(C=C(C=C1)N2CCOCC2)N3CCOCC3

InChI

InChI=1S/C20H33N5O2S/c1-23(2)7-3-6-21-20(28)22-18-5-4-17(24-8-12-26-13-9-24)16-19(18)25-10-14-27-15-11-25/h4-5,16H,3,6-15H2,1-2H3,(H2,21,22,28)/p+1