2-[(4-ethoxy-3-morpholin-4-ylsulfonyl-phenyl)carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-ethoxy-3-morpholin-4-ylsulfonyl-phenyl)carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethoxy-3-morpholinosulfonyl-phenyl)carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-ethoxy-3-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(4-ethoxy-3-morpholinosulfonyl-phenyl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C17H29N4O4S2+ MolecularWeight: 417.56656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=S)NCC[NH+](C)C)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=S)NCC[NH+](C)C)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C17H28N4O4S2/c1-4-25-15-6-5-14(19-17(26)18-7-8-20(2)3)13-16(15)27(22,23)21-9-11-24-12-10-21/h5-6,13H,4,7-12H2,1-3H3,(H2,18,19,26)/p+1