N-(((Phenylamino)thioxomethyl)amino)-N'-(((phenylamino)thioxomethyl)amino)butane-1,4-diamide
Basic information
- CAS
18670-38-7- Standard SMILES
O=C(CCC(=O)NNC(=S)Nc1ccccc1)NNC(=S)Nc1ccccc1- InChIKey
YFPLEDMOIVNQFF-UHFFFAOYSA-N- Molecular formula
- C18H20N6O2S2
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.10891625
Names & identifiers
- Preferred name
- N-(((Phenylamino)thioxomethyl)amino)-N'-(((phenylamino)thioxomethyl)amino)butane-1,4-diamide
- IUPAC
- 1-[[4-oxo-4-[2-(phenylcarbamothioyl)hydrazinyl]butanoyl]amino]-3-phenylthiourea
Names & synonyms
18670-38-7N-(((PHENYLAMINO)THIOXOMETHYL)AMINO)-N'-(((PHENYLAMINO)THIOXOMETHYL)AMINO)BUTANE-1,4-DIAMIDE1-[[4-oxo-4-[2-(phenylcarbamothioyl)hydrazinyl]butanoyl]amino]-3-phenylthioureaNSC89229DTXSID10398309C18H20N6O2S2TAA67038NSC-89229AKOS003412044MS-8588N,N'-bis[(phenylcarbamothioyl)amino]butanediamide2,2'-(1,4-Dioxobutane-1,4-diyl)bis(N-phenylhydrazine-1-carbothioamide)
Show more names
1-[[4-oxo-4-[2-(N-phenyl-C-sulfanyl-carbonimidoyl)hydrazino]butanoyl]amino]-3-phenyl-isothiourea
Database identifiers
- CAS
18670-38-7- PubChem CID
- 3971506
- DTXSID
DTXSID10398309
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…