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

Systemtic Name: 2-[[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[[2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[2-[(4-chlorophenyl)sulfonyl-methylamino]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C14H23ClN5O3S2+ MolecularWeight: 408.94712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22ClN5O3S2/c1-19(2)9-8-16-14(24)18-17-13(21)10-20(3)25(22,23)12-6-4-11(15)5-7-12/h4-7H,8-10H2,1-3H3,(H,17,21)(H2,16,18,24)/p+1