2-[[(4-methoxyphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(4-methoxyphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(4-methoxyphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(4-methoxyanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(4-methoxyphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(4-methoxyphenyl)thiocarbamoylamino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C13H22N5OS2+ MolecularWeight: 328.47668

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NNC(=S)NC1=CC=C(C=C1)OC

Isomeric SMILES

C[NH+](C)CCNC(=S)NNC(=S)NC1=CC=C(C=C1)OC

InChI

InChI=1S/C13H21N5OS2/c1-18(2)9-8-14-12(20)16-17-13(21)15-10-4-6-11(19-3)7-5-10/h4-7H,8-9H2,1-3H3,(H2,14,16,20)(H2,15,17,21)/p+1