Basic information
- CAS
28796-39-6- Standard SMILES
CN(C=O)C(=S)[S][Sb]([S]C(=S)N(C)C=O)[S]c1nc2ccc(N=Nc3ccc(NS(=O)(=O)c4ccc(NC(=O)C(N5CC5)(N5CC5)N5CC5)cc4)cc3)cc2s1- InChIKey
MDDNWGQWAJKKSP-UHFFFAOYSA-K- Molecular formula
- C33H33N10O5S7Sb
- Average molar mass
- 995.9 g/mol
- Monoisotopic mass
- 993.97185
Names & identifiers
- Preferred name
- [[formyl(methyl)carbamothioyl]sulfanyl-[[6-[[4-[[4-[[2,2,2-tris(aziridin-1-yl)acetyl]amino]phenyl]sulfonylamino]phenyl]diazenyl]-1,3-benzothiazol-2-yl]sulfanyl]stibanyl] N-formyl-N-methylcarbamodithioate
- IUPAC
- [[formyl(methyl)carbamothioyl]sulfanyl-[[6-[[4-[[4-[[2,2,2-tris(aziridin-1-yl)acetyl]amino]phenyl]sulfonylamino]phenyl]diazenyl]-1,3-benzothiazol-2-yl]sulfanyl]stibanyl] N-formyl-N-methylcarbamodithioate
Names & synonyms
NSC12749828796-39-6NSC-127498[[formyl(methyl)carbamothioyl]sulfanyl-[[6-[(E)-[4-[[4-[[2,2,2-tris(aziridin-1-yl)acetyl]amino]phenyl]sulfonylamino]phenyl]azo]-1,3-benzothiazol-2-yl]sulfanyl]stibanyl] N-formyl-N-methyl-carbamodithioate2,2,2-Tris(aziridin-1-yl)-N-{4-[({4-[(E)-(2-{[bis({[formyl(methyl)amino]carbonothioyl}thio)stibino]thio}-1,3-benzothiazol-6-yl)diazenyl]phenyl}amino)sulfonyl]phenyl}acetamide
Database identifiers
- CAS
28796-39-6- PubChem CID
- 278175
Properties
Computed structural properties
- Topological polar surface area
- 339 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 16
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…