3-[[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]carbonylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]carbonylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[2-(4-ethylphenyl)thiazole-4-carbonyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[[2-(4-ethylphenyl)-4-thiazolyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[2-(4-ethylphenyl)thiazole-4-carbonyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C18H26N5OS2+ MolecularWeight: 392.56194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C18H25N5OS2/c1-4-13-6-8-14(9-7-13)17-20-15(12-26-17)16(24)21-22-18(25)19-10-5-11-23(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,24)(H2,19,22,25)/p+1