Basic information
- CAS
298686-17-6- Standard SMILES
COc1ccc(SCC(=O)NNC(=S)Nc2ccccc2)cc1- InChIKey
KGIOEFXZFCVPRE-UHFFFAOYSA-N- Molecular formula
- C16H17N3O2S2
- Average molar mass
- 347.5 g/mol
- Monoisotopic mass
- 347.07621914
Names & identifiers
- Preferred name
- 2-((4-Methoxyphenyl)thio)acetic acid 2-((phenylamino)thioxomethyl)hydrazide
- IUPAC
- 1-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-3-phenylthiourea
Names & synonyms
298686-17-62-[(4-Methoxyphenyl)thio]acetic acid 2-[(phenylamino)thioxomethyl]hydrazide2-((4-Methoxyphenyl)thio)acetic acid 2-((phenylamino)thioxomethyl)hydrazideRefChem:2494131-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-3-phenylthiourea2-{[(4-Methoxyphenyl)sulfanyl]acetyl}-N-phenylhydrazine-1-carbothioamideZINC00082001SCHEMBL23008961KGIOEFXZFCVPRE-UHFFFAOYSA-NDTXSID3011443252-{[(4-methoxyphenyl)sulfanyl]acetyl}-N-phenylhydrazinecarbothioamideSTK734070
Show more names
AKOS001725606ST50434620SR-01000526835SR-01000526835-1Semicarbazide, 1-[[(4-methoxy-phenyl)thio]acetyl]-4-phenyl-3-thio-
Database identifiers
- CAS
298686-17-6- PubChem CID
- 701263
- DTXSID
DTXSID301144325
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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