dimethyl-[2-[[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamothioylamino]ethyl]azanium Traditional Name: dimethyl-[2-[[(4-pyrrolidinosulfonylbenzoyl)amino]thiocarbamoylamino]ethyl]ammonium Formula: C16H26N5O3S2+ MolecularWeight: 400.53934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5O3S2/c1-20(2)12-9-17-16(25)19-18-15(22)13-5-7-14(8-6-13)26(23,24)21-10-3-4-11-21/h5-8H,3-4,9-12H2,1-2H3,(H,18,22)(H2,17,19,25)/p+1