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

Systemtic Name: ethyl 4-[2-[3-(hexanoylamino)-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(hexanoylamino)-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[5-oxo-3-(1-oxohexylamino)-1-phenyl-2-sulfanylidene-4-imidazolidinyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(hexanoylamino)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(caproylamino)-5-keto-1-phenyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C26H30N4O5S MolecularWeight: 510.6052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NN1C(C(=O)N(C1=S)C2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)NN1C(C(=O)N(C1=S)C2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C26H30N4O5S/c1-3-5-7-12-22(31)28-30-21(24(33)29(26(30)36)20-10-8-6-9-11-20)17-23(32)27-19-15-13-18(14-16-19)25(34)35-4-2/h6,8-11,13-16,21H,3-5,7,12,17H2,1-2H3,(H,27,32)(H,28,31)