ST51031449
Basic information
- CAS
36105-81-4- Standard SMILES
S=C(NCCCN1CCN(CCCNC(=S)Nc2ccccc2)CC1)Nc1ccccc1- InChIKey
QJMGPHFZZKILHK-UHFFFAOYSA-N- Molecular formula
- C24H34N6S2
- Average molar mass
- 470.7 g/mol
- Monoisotopic mass
- 470.22863746
Names & identifiers
- Preferred name
- ST51031449
- IUPAC
- 1-phenyl-3-[3-[4-[3-(phenylcarbamothioylamino)propyl]piperazin-1-yl]propyl]thiourea
Names & synonyms
36105-81-4ST51031449DTXSID20393385RefChem:381818DTXCID10344245NSC94512NSC-94512AKOS000960582DS-004949N,N'-[Piperazine-1,4-diyldi(propane-3,1-diyl)]bis[N'-phenyl(thiourea)]3-phenyl-1-[3-[4-[3-(phenylthiocarbamoylamino)propyl]piperazin-1-yl]propyl]thiourea(phenylamino)({3-[4-(3-{[(phenylamino)thioxomethyl]amino}propyl)piperazinyl]pr opyl}amino)methane-1-thione
Database identifiers
- CAS
36105-81-4- PubChem CID
- 3532091
- DTXSID
DTXSID20393385- Nikkaji
- J2.878.902E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 493
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Related reactions
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Compound notes
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