2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C17H29N4O3S2+ MolecularWeight: 401.56716

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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)N2CCCC2

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O3S2/c1-4-24-15-8-7-14(19-17(25)18-9-12-20(2)3)13-16(15)26(22,23)21-10-5-6-11-21/h7-8,13H,4-6,9-12H2,1-3H3,(H2,18,19,25)/p+1