3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C18H31N4O3S2+ MolecularWeight: 415.59374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=S)NCCC[NH+](C)C)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=S)NCCC[NH+](C)C)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H30N4O3S2/c1-4-25-16-9-8-15(20-18(26)19-10-7-11-21(2)3)14-17(16)27(23,24)22-12-5-6-13-22/h8-9,14H,4-7,10-13H2,1-3H3,(H2,19,20,26)/p+1