ethyl 4-[2-[3-(hexanoylamino)-1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(hexanoylamino)-1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(hexanoylamino)-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-methyl-5-oxo-3-(1-oxohexylamino)-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(hexanoylamino)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(caproylamino)-5-keto-1-methyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NN1C(C(=O)N(C1=S)C)CC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)NN1C(C(=O)N(C1=S)C)CC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C21H28N4O5S/c1-4-6-7-8-17(26)23-25-16(19(28)24(3)21(25)31)13-18(27)22-15-11-9-14(10-12-15)20(29)30-5-2/h9-12,16H,4-8,13H2,1-3H3,(H,22,27)(H,23,26)