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

Systemtic Name: ethyl 4-[2-[3-(hexanoylamino)-5-oxidanylidene-1-(phenylmethyl)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-benzyl-3-(hexanoylamino)-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[5-oxo-3-(1-oxohexylamino)-1-(phenylmethyl)-2-sulfanylidene-4-imidazolidinyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-benzyl-3-(hexanoylamino)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[1-benzyl-3-(caproylamino)-5-keto-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C27H32N4O5S MolecularWeight: 524.63178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NN1C(C(=O)N(C1=S)CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)NN1C(C(=O)N(C1=S)CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C27H32N4O5S/c1-3-5-7-12-23(32)29-31-22(25(34)30(27(31)37)18-19-10-8-6-9-11-19)17-24(33)28-21-15-13-20(14-16-21)26(35)36-4-2/h6,8-11,13-16,22H,3-5,7,12,17-18H2,1-2H3,(H,28,33)(H,29,32)