ethyl 4-(cyclohexylcarbamothioylamino)-2-phenyl-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 4-(cyclohexylcarbamothioylamino)-2-phenyl-1H-imidazole-5-carboxylate Openeye Name: ethyl 4-(cyclohexylcarbamothioylamino)-2-phenyl-1H-imidazole-5-carboxylate CAS Name: 4-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-2-phenyl-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclohexylcarbamothioylamino)-2-phenyl-1H-imidazole-5-carboxylate Traditional Name: 4-(cyclohexylthiocarbamoylamino)-2-phenyl-1H-imidazole-5-carboxylic acid ethyl ester Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1)C2=CC=CC=C2)NC(=S)NC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1)C2=CC=CC=C2)NC(=S)NC3CCCCC3

InChI

InChI=1S/C19H24N4O2S/c1-2-25-18(24)15-17(22-16(21-15)13-9-5-3-6-10-13)23-19(26)20-14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3,(H,21,22)(H2,20,23,26)