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

Systemtic Name: [4-[(3-carbamothioylphenyl)amino]-4-oxidanylidene-butyl]-dimethyl-azanium Openeye Name: [4-(3-carbamothioylanilino)-4-oxo-butyl]-dimethyl-ammonium CAS Name: [4-(3-carbamothioylanilino)-4-oxobutyl]-dimethylammonium IUPAC Name: [4-(3-carbamothioylanilino)-4-oxobutyl]-dimethylazanium Traditional Name: [4-keto-4-(3-thiocarbamoylanilino)butyl]-dimethyl-ammonium Formula: C13H20N3OS+ MolecularWeight: 266.3824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3OS/c1-16(2)8-4-7-12(17)15-11-6-3-5-10(9-11)13(14)18/h3,5-6,9H,4,7-8H2,1-2H3,(H2,14,18)(H,15,17)/p+1