Carbamodithioic acid, diethyl-, (1-((benzoylamino)methyl)-1H-benzimidazol-2-yl)methyl ester

HCID 55872

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Basic information

CAS: 88797-49-3
Standard SMILES: CCN(CC)C(=S)SCc1nc2ccccc2n1CNC(=O)c1ccccc1
InChIKey: NCPMCSZWXVTXQT-UHFFFAOYSA-N
Molecular formula: C21H24N4OS2
Average molar mass: 412.6 g/mol
Monoisotopic mass: 412.13915375

Names & identifiers

Preferred name: Carbamodithioic acid, diethyl-, (1-((benzoylamino)methyl)-1H-benzimidazol-2-yl)methyl ester
IUPAC: [1-(benzamidomethyl)benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate

Names & synonyms

Carbamodithioic acid, diethyl-, (1-((benzoylamino)methyl)-1H-benzimidazol-2-yl)methyl ester88797-49-3DTXSID50237324Diethylcarbamodithioic acid (1-((benzoylamino)methyl)-1H-benzimidazol-2-yl)methyl esterRefChem:332827DTXCID50159815[1-(Benzamidomethyl)-1H-1,3-benzimidazol-2-yl]methyl diethylcarbamodithioate

Database identifiers

CAS: 88797-49-3
PubChem CID: 55872
DTXSID: DTXSID50237324

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 108 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 523

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