3-[[(4-tert-butylphenyl)carbonylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(4-tert-butylphenyl)carbonylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(4-tert-butylbenzoyl)amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(4-tert-butylbenzoyl)amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(4-tert-butylbenzoyl)amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C17H29N4OS+ MolecularWeight: 337.50336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4OS/c1-17(2,3)14-9-7-13(8-10-14)15(22)19-20-16(23)18-11-6-12-21(4)5/h7-10H,6,11-12H2,1-5H3,(H,19,22)(H2,18,20,23)/p+1