dimethyl-[3-[[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[[(3-pyrrolidinosulfonylbenzoyl)amino]thiocarbamoylamino]propyl]ammonium Formula: C17H28N5O3S2+ MolecularWeight: 414.56592

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

C[NH+](C)CCCNC(=S)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C17H27N5O3S2/c1-21(2)10-6-9-18-17(26)20-19-16(23)14-7-5-8-15(13-14)27(24,25)22-11-3-4-12-22/h5,7-8,13H,3-4,6,9-12H2,1-2H3,(H,19,23)(H2,18,20,26)/p+1