(6-(3-(3-Methylphenyl)aminocarbonylamino-propanoyl)-2-benzothiazolyl)-3-ethylurea

HCID 21985584
Substructure searchFind similar structures

Basic information

Standard SMILES
CCNC(=O)Nc1nc2ccc(C(=O)CCNC(=O)Nc3cccc(C)c3)cc2s1
InChIKey
MMQYKMQTZMSVEN-UHFFFAOYSA-N
Molecular formula
C21H23N5O3S
Average molar mass
425.5 g/mol

Names & identifiers

Preferred name
(6-(3-(3-Methylphenyl)aminocarbonylamino-propanoyl)-2-benzothiazolyl)-3-ethylurea
IUPAC
1-ethyl-3-[6-[3-[(3-methylphenyl)carbamoylamino]propanoyl]-1,3-benzothiazol-2-yl]urea

Names & synonyms

SCHEMBL6067918MMQYKMQTZMSVEN-UHFFFAOYSA-N(6-(3-(3-Methylphenyl)aminocarbonylamino-propanoyl)-2-benzothiazolyl)-3-ethylurea1-(6-(3-(3-Methylphenyl)aminocarbonylamino-propanoyl)-2-benzothiazolyl)-3-ethylurea

Database identifiers

PubChem CID
21985584

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
140 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
30

Related reactions

1 records
New reaction record

Linked notes

Loading…