butyl-[(2R)-1-[(2-carbamothioylphenyl)amino]-1-oxidanylidene-propan-2-yl]-ethyl-azanium

Systemtic Name: butyl-[(2R)-1-[(2-carbamothioylphenyl)amino]-1-oxidanylidene-propan-2-yl]-ethyl-azanium Openeye Name: butyl-[(1R)-2-(2-carbamothioylanilino)-1-methyl-2-oxo-ethyl]-ethyl-ammonium CAS Name: butyl-[(2R)-1-(2-carbamothioylanilino)-1-oxopropan-2-yl]-ethylammonium IUPAC Name: butyl-[(2R)-1-(2-carbamothioylanilino)-1-oxopropan-2-yl]-ethylazanium Traditional Name: butyl-ethyl-[(1R)-2-keto-1-methyl-2-(2-thiocarbamoylanilino)ethyl]ammonium Formula: C16H26N3OS+ MolecularWeight: 308.46214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)C(C)C(=O)NC1=CC=CC=C1C(=S)N

Isomeric SMILES

CCCC[NH+](CC)[C@H](C)C(=O)NC1=CC=CC=C1C(=S)N

InChI

InChI=1S/C16H25N3OS/c1-4-6-11-19(5-2)12(3)16(20)18-14-10-8-7-9-13(14)15(17)21/h7-10,12H,4-6,11H2,1-3H3,(H2,17,21)(H,18,20)/p+1/t12-/m1/s1