ethyl 2-[(2,4,5-trimethylphenyl)carbamothioylamino]hexanoate

Systemtic Name: ethyl 2-[(2,4,5-trimethylphenyl)carbamothioylamino]hexanoate Openeye Name: ethyl 2-[(2,4,5-trimethylphenyl)carbamothioylamino]hexanoate CAS Name: 2-[[sulfanylidene-(2,4,5-trimethylanilino)methyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(2,4,5-trimethylphenyl)carbamothioylamino]hexanoate Traditional Name: 2-[(2,4,5-trimethylphenyl)thiocarbamoylamino]hexanoic acid ethyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)NC(=S)NC1=C(C=C(C(=C1)C)C)C

Isomeric SMILES

CCCCC(C(=O)OCC)NC(=S)NC1=C(C=C(C(=C1)C)C)C

InChI

InChI=1S/C18H28N2O2S/c1-6-8-9-15(17(21)22-7-2)19-18(23)20-16-11-13(4)12(3)10-14(16)5/h10-11,15H,6-9H2,1-5H3,(H2,19,20,23)