3-[(3-ethanoylphenyl)carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-ethanoylphenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(3-acetylphenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-acetylanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(3-acetylphenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(3-acetylphenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3OS/c1-11(18)12-6-4-7-13(10-12)16-14(19)15-8-5-9-17(2)3/h4,6-7,10H,5,8-9H2,1-3H3,(H2,15,16,19)/p+1