3-[(2,5-dimethylphenyl)carbamothioylamino]propyl-diethyl-azanium

Systemtic Name: 3-[(2,5-dimethylphenyl)carbamothioylamino]propyl-diethyl-azanium Openeye Name: 3-[(2,5-dimethylphenyl)carbamothioylamino]propyl-diethyl-ammonium CAS Name: 3-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]propyl-diethylammonium IUPAC Name: 3-[(2,5-dimethylphenyl)carbamothioylamino]propyl-diethylazanium Traditional Name: 3-[(2,5-dimethylphenyl)thiocarbamoylamino]propyl-diethyl-ammonium Formula: C16H28N3S+ MolecularWeight: 294.47862

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=S)NC1=C(C=CC(=C1)C)C

Isomeric SMILES

CC[NH+](CC)CCCNC(=S)NC1=C(C=CC(=C1)C)C

InChI

InChI=1S/C16H27N3S/c1-5-19(6-2)11-7-10-17-16(20)18-15-12-13(3)8-9-14(15)4/h8-9,12H,5-7,10-11H2,1-4H3,(H2,17,18,20)/p+1