Methyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazinyl]carbonothioyl}amino)-4,5-dimethylthiophene-3-carboxylate
Basic information
- CAS
588710-66-1- Standard SMILES
COC(=O)c1c(NC(=S)NNC(=O)c2csc3ccccc23)sc(C)c1C- InChIKey
RFASOZYVWWNNGP-UHFFFAOYSA-N- Molecular formula
- C18H17N3O3S3
- Average molar mass
- 419.5 g/mol
Names & identifiers
- Preferred name
- Methyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazinyl]carbonothioyl}amino)-4,5-dimethylthiophene-3-carboxylate
- IUPAC
- methyl 2-[(1-benzothiophene-3-carbonylamino)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
- English name
- Benzo[b]thiophene-3-carboxylic acid, 2-[[[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)
- Molecular formula
- C18H17N3O3S3
- Molecular weight
- 419.54
Names & synonyms
588710-66-1STK437293AKOS003332945Benzo[b]thiophene-3-carboxylic acid, 2-[[[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino]thioxomethyl]hydrazide (9CI)ST50843045methyl 2-({[(benzo[b]thiophen-3-ylcarbonylamino)amino]thioxomethyl}amino)-4,5- dimethylthiophene-3-carboxylatemethyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazinyl]carbonothioyl}amino)-4,5-dimethylthiophene-3-carboxylatemethyl 2-(2-(benzo[b]thiophene-3-carbonyl)hydrazinecarbothioamido)-4,5-dimethylthiophene-3-carboxylateBenzo[b]thiophene-3-carboxylic acid, 2-[[[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]amino]thioxomethyl]hydrazide
Database identifiers
- CAS
588710-66-1
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 591
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