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

Systemtic Name: methyl 2-[2-[(2,4,5-trimethylphenyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(2,4,5-trimethylphenyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[1-oxo-2-[[sulfanylidene-(2,4,5-trimethylanilino)methyl]amino]ethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2,4,5-trimethylphenyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(2,4,5-trimethylphenyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=C(C=C(C(=C1)C)C)C

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=C(C=C(C(=C1)C)C)C

InChI

InChI=1S/C19H29N3O3S/c1-6-7-8-15(18(24)25-5)21-17(23)11-20-19(26)22-16-10-13(3)12(2)9-14(16)4/h9-10,15H,6-8,11H2,1-5H3,(H,21,23)(H2,20,22,26)