phenyl N-[[methyl[[[2,3-dihydro-2,2-dimethyl-7-benzofuranyl]oxy]carbonyl]amino]thio]-2-methyl-propiothioimidate

HCID 53887993

Basic information

Standard SMILES
CC(C)C(=NSN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)Sc1ccccc1
InChIKey
HOMKDMIYGLTTGO-UHFFFAOYSA-N
Molecular formula
C22H26N2O3S2
Average molar mass
430.6 g/mol

Names & identifiers

Preferred name
phenyl N-[[methyl[[[2,3-dihydro-2,2-dimethyl-7-benzofuranyl]oxy]carbonyl]amino]thio]-2-methyl-propiothioimidate
IUPAC
phenyl N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-2-methylpropanimidothioate

Names & synonyms

SCHEMBL10841608HOMKDMIYGLTTGO-UHFFFAOYSA-Nphenyl N-[[methyl[[[2,3-dihydro-2,2-dimethyl-7- benzofuranyl]oxy]carbonyl]amino]thio]-2-methyl-propiothioimidatephenyl N-[[methyl[[[2,3-dihydro-2,2-dimethyl-7-benzofuranyl]oxy]carbonyl]amino]thio]-2-methyl-propiothioimidate

Database identifiers

PubChem CID
53887993

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
102 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
29

Related reactions

3 records

Linked notes

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