2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]acetohydrazide
Basic information
- CAS
330663-69-9- Standard SMILES
COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OC- InChIKey
PQZGNCOEQVQSRY-VXLYETTFSA-N- Molecular formula
- C18H17N3O3S2
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.07113376
Names & identifiers
- Preferred name
- 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]acetohydrazide
- IUPAC
- 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]acetamide
Names & synonyms
2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]acetohydrazideSTK077246AKOS0006064282-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]acetamide155670-89-6ST50060827L-295,188(E)-2-(benzo[d]thiazol-2-ylthio)-N'-(2,3-dimethoxybenzylidene)acetohydrazide2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-N'-(2,3-DIMETHOXYBENZYLIDENE)ACETOHYDRAZIDE2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2,3-dimethoxyphenyl)methyleneamino]acetamideN-[(1E)-1-aza-2-(2,3-Dimethoxyphenyl)vinyl]-2-benzothiazol-2-ylthioacetamideN-[(1E)-2-(2,3-dimethoxyphenyl)-1-azavinyl]-2-benzothiazol-2-ylthioacetamide
Database identifiers
- CAS
330663-69-9- PubChem CID
- 5334499
- EC Number
- 126-558-6
- Nikkaji
- J1.558.488B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 494
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