2-(cyclohexylcarbamothioylamino)-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-(cyclohexylcarbamothioylamino)-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-(cyclohexylcarbamothioylamino)-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-(cyclohexylcarbamothioylamino)-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-(cyclohexylthiocarbamoylamino)-3-(1H-imidazol-5-yl)propionic acid Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=S)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C13H20N4O2S/c18-12(19)11(6-10-7-14-8-15-10)17-13(20)16-9-4-2-1-3-5-9/h7-9,11H,1-6H2,(H,14,15)(H,18,19)(H2,16,17,20)