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

Systemtic Name: ethyl 5-(phenylcarbamothioylamino)-3-propyl-imidazole-4-carboxylate Openeye Name: ethyl 5-(phenylcarbamothioylamino)-3-propyl-imidazole-4-carboxylate CAS Name: 5-[[anilino(sulfanylidene)methyl]amino]-3-propyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(phenylcarbamothioylamino)-3-propylimidazole-4-carboxylate Traditional Name: 5-(phenylthiocarbamoylamino)-3-propyl-imidazole-4-carboxylic acid ethyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC(=C1C(=O)OCC)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCCN1C=NC(=C1C(=O)OCC)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C16H20N4O2S/c1-3-10-20-11-17-14(13(20)15(21)22-4-2)19-16(23)18-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H2,18,19,23)