3-[[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[2-[(4-chlorophenyl)sulfonyl-methylamino]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C15H25ClN5O3S2+ MolecularWeight: 422.9737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24ClN5O3S2/c1-20(2)10-4-9-17-15(25)19-18-14(22)11-21(3)26(23,24)13-7-5-12(16)6-8-13/h5-8H,4,9-11H2,1-3H3,(H,18,22)(H2,17,19,25)/p+1