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

Systemtic Name: methyl 4-[2-[3-[(4-bromophenyl)carbonylamino]-1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H19BrN4O5S MolecularWeight: 519.36836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=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

CN1C(=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/C21H19BrN4O5S/c1-25-19(29)16(11-17(27)23-15-9-5-13(6-10-15)20(30)31-2)26(21(25)32)24-18(28)12-3-7-14(22)8-4-12/h3-10,16H,11H2,1-2H3,(H,23,27)(H,24,28)