[2-[(3-carbamothioylphenyl)amino]-2-oxidanylidene-ethyl]-cyclohexyl-methyl-azanium

Systemtic Name: [2-[(3-carbamothioylphenyl)amino]-2-oxidanylidene-ethyl]-cyclohexyl-methyl-azanium Openeye Name: [2-(3-carbamothioylanilino)-2-oxo-ethyl]-cyclohexyl-methyl-ammonium CAS Name: [2-(3-carbamothioylanilino)-2-oxoethyl]-cyclohexyl-methylammonium IUPAC Name: [2-(3-carbamothioylanilino)-2-oxoethyl]-cyclohexyl-methylazanium Traditional Name: cyclohexyl-[2-keto-2-(3-thiocarbamoylanilino)ethyl]-methyl-ammonium Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=CC=CC(=C1)C(=S)N)C2CCCCC2

Isomeric SMILES

C[NH+](CC(=O)NC1=CC=CC(=C1)C(=S)N)C2CCCCC2

InChI

InChI=1S/C16H23N3OS/c1-19(14-8-3-2-4-9-14)11-15(20)18-13-7-5-6-12(10-13)16(17)21/h5-7,10,14H,2-4,8-9,11H2,1H3,(H2,17,21)(H,18,20)/p+1