3-(4-acetyloxyphenyl)-2-(cyclohexylcarbamothioylamino)propanoic acid

Systemtic Name: 3-(4-acetyloxyphenyl)-2-(cyclohexylcarbamothioylamino)propanoic acid Openeye Name: 3-(4-acetoxyphenyl)-2-(cyclohexylcarbamothioylamino)propanoic acid CAS Name: 3-(4-acetyloxyphenyl)-2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-(4-acetyloxyphenyl)-2-(cyclohexylcarbamothioylamino)propanoic acid Traditional Name: 3-(4-acetoxyphenyl)-2-(cyclohexylthiocarbamoylamino)propionic acid Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC(=S)NC2CCCCC2

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC(=S)NC2CCCCC2

InChI

InChI=1S/C18H24N2O4S/c1-12(21)24-15-9-7-13(8-10-15)11-16(17(22)23)20-18(25)19-14-5-3-2-4-6-14/h7-10,14,16H,2-6,11H2,1H3,(H,22,23)(H2,19,20,25)