ethyl 3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-5-(phenylcarbamothioylamino)imidazole-4-carboxylate

Systemtic Name: ethyl 3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-5-(phenylcarbamothioylamino)imidazole-4-carboxylate Openeye Name: ethyl 3-[2-(4-bromophenyl)-2-oxo-ethyl]-5-(phenylcarbamothioylamino)imidazole-4-carboxylate CAS Name: 5-[[anilino(sulfanylidene)methyl]amino]-3-[2-(4-bromophenyl)-2-oxoethyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-bromophenyl)-2-oxoethyl]-5-(phenylcarbamothioylamino)imidazole-4-carboxylate Traditional Name: 3-[2-(4-bromophenyl)-2-keto-ethyl]-5-(phenylthiocarbamoylamino)imidazole-4-carboxylic acid ethyl ester Formula: C21H19BrN4O3S MolecularWeight: 487.36956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CN1CC(=O)C2=CC=C(C=C2)Br)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=CN1CC(=O)C2=CC=C(C=C2)Br)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H19BrN4O3S/c1-2-29-20(28)18-19(25-21(30)24-16-6-4-3-5-7-16)23-13-26(18)12-17(27)14-8-10-15(22)11-9-14/h3-11,13H,2,12H2,1H3,(H2,24,25,30)