N-{[3-Benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl]carbamothioyl}benzamide

HCID 3572001

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Basic information

CAS: 87544-56-7
Standard SMILES: Cc1cccc(C)c1-n1cc(NC(=S)NC(=O)c2ccccc2)n(C(=O)c2ccccc2)c1=S
InChIKey: SHSDLYCBDSWHKT-UHFFFAOYSA-N
Molecular formula: C26H22N4O2S2
Average molar mass: 486.6 g/mol
Monoisotopic mass: 486.1184183

Names & identifiers

Preferred name: N-{[3-Benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl]carbamothioyl}benzamide
IUPAC: N-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylideneimidazol-4-yl]carbamothioyl]benzamide

Names & synonyms

87544-56-7NSC375971DTXSID20393764NSC-375971N-{[3-Benzoyl-1-(2,6-dimethylphenyl)-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl]carbamothioyl}benzamideN-[[3-benzoyl-1-(2,6-dimethylphenyl)-2-thioxo-imidazol-4-yl]carbamothioyl]benzamideBenzamide, N-[[[3-benzoyl-1-(2,6-dimethylphenyl)-2,3-dihydro-2-thioxo-1H-imidazol-4-yl]amino]thioxomethyl]-

Database identifiers

CAS: 87544-56-7
PubChem CID: 3572001
DTXSID: DTXSID20393764

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 129 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 34
Formal charge: 0
Complexity: 823

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