dimethyl-[3-[[(4-propan-2-ylphenyl)carbamothioylamino]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(4-propan-2-ylphenyl)carbamothioylamino]carbamothioylamino]propyl]azanium Openeye Name: 3-[[(4-isopropylphenyl)carbamothioylamino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[[[(4-propan-2-ylanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(4-propan-2-ylphenyl)carbamothioylamino]carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[(p-cumenylthiocarbamoylamino)thiocarbamoylamino]propyl]ammonium Formula: C16H28N5S2+ MolecularWeight: 354.55702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C16H27N5S2/c1-12(2)13-6-8-14(9-7-13)18-16(23)20-19-15(22)17-10-5-11-21(3)4/h6-9,12H,5,10-11H2,1-4H3,(H2,17,19,22)(H2,18,20,23)/p+1