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

Systemtic Name: dimethyl-[3-[[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[[3-(1-piperidylsulfonyl)benzoyl]amino]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(3-piperidin-1-ylsulfonylbenzoyl)amino]carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[[(3-piperidinosulfonylbenzoyl)amino]thiocarbamoylamino]propyl]ammonium Formula: C18H30N5O3S2+ MolecularWeight: 428.5925

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

C[NH+](C)CCCNC(=S)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H29N5O3S2/c1-22(2)11-7-10-19-18(27)21-20-17(24)15-8-6-9-16(14-15)28(25,26)23-12-4-3-5-13-23/h6,8-9,14H,3-5,7,10-13H2,1-2H3,(H,20,24)(H2,19,21,27)/p+1