2-[2-(4-carbamothioylphenoxy)ethanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(4-carbamothioylphenoxy)ethanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-carbamothioylphenoxy)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(4-carbamothioylphenoxy)-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-carbamothioylphenoxy)acetyl]amino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[[2-(4-thiocarbamoylphenoxy)acetyl]amino]ethyl]ammonium Formula: C13H20N3O2S+ MolecularWeight: 282.3818

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)COC1=CC=C(C=C1)C(=S)N

Isomeric SMILES

C[NH+](C)CCNC(=O)COC1=CC=C(C=C1)C(=S)N

InChI

InChI=1S/C13H19N3O2S/c1-16(2)8-7-15-12(17)9-18-11-5-3-10(4-6-11)13(14)19/h3-6H,7-9H2,1-2H3,(H2,14,19)(H,15,17)/p+1