3-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)carbamothioylamino]propyl-dimethyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2

InChI

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