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

Systemtic Name: ethyl 4-[2-[1-ethyl-3-(hexanoylamino)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-ethyl-3-(hexanoylamino)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-ethyl-5-oxo-3-(1-oxohexylamino)-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-ethyl-3-(hexanoylamino)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(caproylamino)-1-ethyl-5-keto-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O5S/c1-4-7-8-9-18(27)24-26-17(20(29)25(5-2)22(26)32)14-19(28)23-16-12-10-15(11-13-16)21(30)31-6-3/h10-13,17H,4-9,14H2,1-3H3,(H,23,28)(H,24,27)