[3-[(4-carbamothioylphenyl)amino]-3-oxidanylidene-propyl]-dimethyl-azanium

Systemtic Name: [3-[(4-carbamothioylphenyl)amino]-3-oxidanylidene-propyl]-dimethyl-azanium Openeye Name: [3-(4-carbamothioylanilino)-3-oxo-propyl]-dimethyl-ammonium CAS Name: [3-(4-carbamothioylanilino)-3-oxopropyl]-dimethylammonium IUPAC Name: [3-(4-carbamothioylanilino)-3-oxopropyl]-dimethylazanium Traditional Name: [3-keto-3-(4-thiocarbamoylanilino)propyl]-dimethyl-ammonium Formula: C12H18N3OS+ MolecularWeight: 252.35582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3OS/c1-15(2)8-7-11(16)14-10-5-3-9(4-6-10)12(13)17/h3-6H,7-8H2,1-2H3,(H2,13,17)(H,14,16)/p+1