Basic information
- Standard SMILES
CCCN(CCC(=O)OCC)C(=O)c1ccc2c(c1)nc(CS(=O)c1ccc(C(=N)N)cc1)n2C.Cl- InChIKey
GSXCVPZQBZVMFQ-UHFFFAOYSA-N- Molecular formula
- C25H32ClN5O4S
- Average molar mass
- 534.1 g/mol
Names & identifiers
- Preferred name
- 1-methyl-2-[(4-amidinophenyl)sulfinylmethyl]benzimidazol-5-yl-carboxylic acid-N-(n-propyl)-N-(2-ethoxycarbonylethyl)amide hydrochloride
- IUPAC
- ethyl 3-[[2-[(4-carbamimidoylphenyl)sulfinylmethyl]-1-methylbenzimidazole-5-carbonyl]-propylamino]propanoate;hydrochloride
Names & synonyms
SCHEMBL6776904GSXCVPZQBZVMFQ-UHFFFAOYSA-N1-methyl-2-[(4-amidinophenyl)sulfinylmethyl]-benzimidazol-5-yl-carboxylic acid-N-(n-propyl)-N-(2-ethoxycarbonylethyl)-amide-hydrochloride1-methyl-2-[(4-amidinophenyl)sulfinylmethyl]benzimidazol-5-yl-carboxylic acid-N-(n-propyl)-N-(2-ethoxycarbonylethyl)amide hydrochloride
Database identifiers
- PubChem CID
- 18412697
Properties
Computed structural properties
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 773
Related reactions
2 records
Compound notes
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