N-(1-azanyl-1-oxidanylidene-propan-2-yl)-1,3,4-tris(oxidanyl)-5-(phenylcarbamothioylamino)cyclohexane-1-carboxamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-propan-2-yl)-1,3,4-tris(oxidanyl)-5-(phenylcarbamothioylamino)cyclohexane-1-carboxamide Openeye Name: N-(2-amino-1-methyl-2-oxo-ethyl)-1,3,4-trihydroxy-5-(phenylcarbamothioylamino)cyclohexanecarboxamide CAS Name: N-(1-amino-1-oxopropan-2-yl)-3-[[anilino(sulfanylidene)methyl]amino]-1,4,5-trihydroxy-1-cyclohexanecarboxamide IUPAC Name: N-(1-amino-1-oxopropan-2-yl)-1,3,4-trihydroxy-5-(phenylcarbamothioylamino)cyclohexane-1-carboxamide Traditional Name: N-(2-amino-2-keto-1-methyl-ethyl)-1,3,4-trihydroxy-5-(phenylthiocarbamoylamino)cyclohexanecarboxamide Formula: C17H24N4O5S MolecularWeight: 396.46126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O5S/c1-9(14(18)24)19-15(25)17(26)7-11(13(23)12(22)8-17)21-16(27)20-10-5-3-2-4-6-10/h2-6,9,11-13,22-23,26H,7-8H2,1H3,(H2,18,24)(H,19,25)(H2,20,21,27)