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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC=C(C=C3)Br)C

InChI

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