Ethyl{[5-(3-{[(3-methylpyridin-2-yl)carbonyl]amino}phenoxy)pyridin-2-yl]carbamothioyl}carbamate

HCID 57749212
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Basic information

Standard SMILES
CCOC(=O)NC(=S)Nc1ccc(Oc2cccc(NC(=O)c3ncccc3C)c2)cn1
InChIKey
AOEZLXJOCVAQBZ-UHFFFAOYSA-N
Molecular formula
C22H21N5O4S
Average molar mass
451.5 g/mol

Names & identifiers

Preferred name
Ethyl{[5-(3-{[(3-methylpyridin-2-yl)carbonyl]amino}phenoxy)pyridin-2-yl]carbamothioyl}carbamate
IUPAC
ethyl N-[[5-[3-[(3-methylpyridine-2-carbonyl)amino]phenoxy]-2-pyridinyl]carbamothioyl]carbamate

Names & synonyms

SCHEMBL13636127AOEZLXJOCVAQBZ-UHFFFAOYSA-Nethyl {[5-(3-{[(3-methylpyridin-2-yl) carbonyl]amino}phenoxy)pyridin-2-yl]carbamothioyl}carbamateethyl{[5-(3-{[(3-methylpyridin-2-yl)carbonyl]amino}phenoxy)pyridin-2-yl]carbamothioyl}carbamate

Database identifiers

PubChem CID
57749212

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
147 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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