ethyl 3-methyl-5-(phenylcarbamothioylamino)imidazole-4-carboxylate

Systemtic Name: ethyl 3-methyl-5-(phenylcarbamothioylamino)imidazole-4-carboxylate Openeye Name: ethyl 3-methyl-5-(phenylcarbamothioylamino)imidazole-4-carboxylate CAS Name: 5-[[anilino(sulfanylidene)methyl]amino]-3-methyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-(phenylcarbamothioylamino)imidazole-4-carboxylate Traditional Name: 3-methyl-5-(phenylthiocarbamoylamino)imidazole-4-carboxylic acid ethyl ester Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CN1C)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(N=CN1C)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C14H16N4O2S/c1-3-20-13(19)11-12(15-9-18(11)2)17-14(21)16-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H2,16,17,21)