ethyl 1-(2-acetyloxyethoxymethyl)-5-(phenylcarbonylcarbamothioylamino)imidazole-4-carboxylate

Systemtic Name: ethyl 1-(2-acetyloxyethoxymethyl)-5-(phenylcarbonylcarbamothioylamino)imidazole-4-carboxylate Openeye Name: ethyl 1-(2-acetoxyethoxymethyl)-5-(benzoylcarbamothioylamino)imidazole-4-carboxylate CAS Name: 1-(2-acetyloxyethoxymethyl)-5-[[benzamido(sulfanylidene)methyl]amino]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-acetyloxyethoxymethyl)-5-(benzoylcarbamothioylamino)imidazole-4-carboxylate Traditional Name: 1-(2-acetoxyethoxymethyl)-5-(benzoylthiocarbamoylamino)imidazole-4-carboxylic acid ethyl ester Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C=N1)COCCOC(=O)C)NC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(N(C=N1)COCCOC(=O)C)NC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H22N4O6S/c1-3-28-18(26)15-16(23(11-20-15)12-27-9-10-29-13(2)24)21-19(30)22-17(25)14-7-5-4-6-8-14/h4-8,11H,3,9-10,12H2,1-2H3,(H2,21,22,25,30)