[(2S)-1-[(4-carbamothioylphenyl)amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[(4-carbamothioylphenyl)amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-2-(4-carbamothioylanilino)-1-methyl-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-(4-carbamothioylanilino)-1-oxopropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-(4-carbamothioylanilino)-1-oxopropan-2-yl]-dimethylazanium Traditional Name: [(1S)-2-keto-1-methyl-2-(4-thiocarbamoylanilino)ethyl]-dimethyl-ammonium Formula: C12H18N3OS+ MolecularWeight: 252.35582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=S)N)[NH+](C)C

InChI

InChI=1S/C12H17N3OS/c1-8(15(2)3)12(16)14-10-6-4-9(5-7-10)11(13)17/h4-8H,1-3H3,(H2,13,17)(H,14,16)/p+1/t8-/m0/s1