Basic information
- Standard SMILES
N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCCC2- InChIKey
IBQJWZNNSYUOII-UHFFFAOYSA-N- Molecular formula
- C17H15N3OS2
- Average molar mass
- 341.5 g/mol
Names & identifiers
- Preferred name
- N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
- IUPAC
- N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
Names & synonyms
121746-08-5N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamideN-benzoyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thioureaN-((3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)benzamideIBQJWZNNSYUOII-UHFFFAOYSA-NSMR000175582MLS000561752SCHEMBL1622732CHEMBL1409180HMS2558A17STK1634981-Benzoyl-3-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-thiourea
Show more names
AKOS000505333PD127762ST50235687AB00081521-01AJ-292/40175630N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-ylcarbamothioyl)-benzamideN-{[(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))amino]thioxomethyl}benza mide
Database identifiers
- PubChem CID
- 796265
- ChEMBL
CHEMBL1409180
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 509
Related reactions
5 records
Compound notes
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