3-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(2-chloro-5-morpholinosulfonyl-phenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-chloro-5-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(2-chloro-5-morpholin-4-ylsulfonylphenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(2-chloro-5-morpholinosulfonyl-phenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H26ClN4O3S2+ MolecularWeight: 421.98564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25ClN4O3S2/c1-20(2)7-3-6-18-16(25)19-15-12-13(4-5-14(15)17)26(22,23)21-8-10-24-11-9-21/h4-5,12H,3,6-11H2,1-2H3,(H2,18,19,25)/p+1