N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]phenyl}-N-ethyl-N'-(2-phenylacetyl)thiourea

HCID 21890890

Notes Reactions

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Basic information

Standard SMILES: CCN(C(=S)NC(=O)Cc1ccccc1)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1
InChIKey: KOJOXXNCOVTBEQ-UHFFFAOYSA-N
Molecular formula: C28H27N3O4S
Average molar mass: 501.6 g/mol

Names & identifiers

Preferred name: N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]phenyl}-N-ethyl-N'-(2-phenylacetyl)thiourea
IUPAC: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-ethylcarbamothioyl]-2-phenylacetamide

Names & synonyms

SCHEMBL5825122KOJOXXNCOVTBEQ-UHFFFAOYSA-NN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-phenyl}-N-ethyl-N'-(2-phenylacetyl)thioureaN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]phenyl}-N-ethyl-N'-(2-phenylacetyl)thiourea

Database identifiers

PubChem CID: 21890890

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 105 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 36
Formal charge: 0
Complexity: 711

Related reactions

1 records

New reaction record

HRID 721922As productuspto-grants-2006_11

Compound notes

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