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

Systemtic Name: methyl 4-[2-[3-[(4-bromophenyl)carbonylamino]-1-ethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-[(4-bromobenzoyl)amino]-1-ethyl-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-[[(4-bromophenyl)-oxomethyl]amino]-1-ethyl-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-[(4-bromobenzoyl)amino]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-[(4-bromobenzoyl)amino]-1-ethyl-5-keto-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H21BrN4O5S MolecularWeight: 533.39494

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(N(C1=S)NC(=O)C2=CC=C(C=C2)Br)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C(=O)C(N(C1=S)NC(=O)C2=CC=C(C=C2)Br)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21BrN4O5S/c1-3-26-20(30)17(12-18(28)24-16-10-6-14(7-11-16)21(31)32-2)27(22(26)33)25-19(29)13-4-8-15(23)9-5-13/h4-11,17H,3,12H2,1-2H3,(H,24,28)(H,25,29)