3-[[2-[ethanoyl-(2-ethylphenyl)amino]-1,3-thiazol-4-yl]methylcarbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-[ethanoyl-(2-ethylphenyl)amino]-1,3-thiazol-4-yl]methylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(N-acetyl-2-ethyl-anilino)thiazol-4-yl]methylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[2-(N-acetyl-2-ethylanilino)-4-thiazolyl]methylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[2-(N-acetyl-2-ethyl-anilino)thiazol-4-yl]methylthiocarbamoylamino]propyl-dimethyl-ammonium Formula: C20H30N5OS2+ MolecularWeight: 420.6151

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(C2=NC(=CS2)CNC(=S)NCCC[NH+](C)C)C(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N(C2=NC(=CS2)CNC(=S)NCCC[NH+](C)C)C(=O)C

InChI

InChI=1S/C20H29N5OS2/c1-5-16-9-6-7-10-18(16)25(15(2)26)20-23-17(14-28-20)13-22-19(27)21-11-8-12-24(3)4/h6-7,9-10,14H,5,8,11-13H2,1-4H3,(H2,21,22,27)/p+1