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

HCID 21890967
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Basic information

Standard SMILES
CCCCCCCCc1ccc(C(=O)NC(=S)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cc1
InChIKey
RZEBVMNBFOCVTF-UHFFFAOYSA-N
Molecular formula
C33H37N3O4S
Average molar mass
571.7 g/mol
Monoisotopic mass
571.25047784

Names & identifiers

Preferred name
N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]phenyl}-N'-(4-octylbenzoyl)thiourea
IUPAC
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-4-octylbenzamide

Names & synonyms

SCHEMBL5824952RZEBVMNBFOCVTF-UHFFFAOYSA-NN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-phenyl}-N'-(4-octylbenzoyl)thioureaN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]phenyl}-N'-(4-octylbenzoyl)thiourea

Database identifiers

PubChem CID
21890967

Properties

Computed structural properties

XLogP
9.3
Topological polar surface area
114 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
13
Heavy atoms
41

Related reactions

2 records
New reaction record

Compound notes

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