3-[[2-(1-adamantyl)ethanoylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(1-adamantyl)ethanoylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[2-(1-adamantyl)acetyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[2-(1-adamantyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[2-(1-adamantyl)acetyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[2-(1-adamantyl)acetyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C18H33N4OS+ MolecularWeight: 353.54582

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NNC(=O)CC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

C[NH+](C)CCCNC(=S)NNC(=O)CC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C18H32N4OS/c1-22(2)5-3-4-19-17(24)21-20-16(23)12-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-15H,3-12H2,1-2H3,(H,20,23)(H2,19,21,24)/p+1