N-benzoyl-N'-(1H-indol-4-yl)thiourea
Basic information
- CAS
861208-78-8- Standard SMILES
O=C(NC(=S)Nc1cccc2[nH]ccc12)c1ccccc1- InChIKey
XCGZMAADNXGSKU-UHFFFAOYSA-N- Molecular formula
- C16H13N3OS
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.07793322
Names & identifiers
- Preferred name
- N-benzoyl-N'-(1H-indol-4-yl)thiourea
- IUPAC
- N-(1H-indol-4-ylcarbamothioyl)benzamide
Names & synonyms
861208-78-81-benzoyl-3-(1H-indol-4-yl)thioureaN-benzoyl-N'-(1H-indol-4-yl)thioureaN-(1H-indol-4-ylcarbamothioyl)benzamideDTXSID501254702AKOS005086093N-[(1H-Indol-4-yl)carbamothioyl]benzamide2P-062N-[(1H-Indol-4-ylamino)thioxomethyl]benzamide
Database identifiers
- CAS
861208-78-8- PubChem CID
- 4680948
- DTXSID
DTXSID501254702
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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