N-(benzoylcarbamothioyl)benzamide

C15H12N2O2S — CID 12638204

IUPACN-(benzoylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-13(11-7-3-1-4-8-11)16-15(20)17-14(19)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19,20)
InChIKeyGAIUXCGJHIOROL-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.13
Rot. Bonds2

About N-(benzoylcarbamothioyl)benzamide

N-(benzoylcarbamothioyl)benzamide (PubChem CID 12638204) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(benzoylcarbamothioyl)benzamide.

Molecular Properties

Compound NameN-(benzoylcarbamothioyl)benzamide
PubChem CID12638204
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-(benzoylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-13(11-7-3-1-4-8-11)16-15(20)17-14(19)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19,20)
InChIKeyGAIUXCGJHIOROL-UHFFFAOYSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzoylcarbamothioyl)benzamide?
The IUPAC name of N-(benzoylcarbamothioyl)benzamide (CID 12638204) is N-(benzoylcarbamothioyl)benzamide.
What is the SMILES notation for N-(benzoylcarbamothioyl)benzamide?
The canonical SMILES for N-(benzoylcarbamothioyl)benzamide is O=C(NC(=S)NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzoylcarbamothioyl)benzamide?
The InChIKey is GAIUXCGJHIOROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-13(11-7-3-1-4-8-11)16-15(20)17-14(19)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19,20).
What are the key properties of N-(benzoylcarbamothioyl)benzamide?
N-(benzoylcarbamothioyl)benzamide has a molecular weight of 284.34 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzoylcarbamothioyl)benzamide is sourced from PubChem (CID 12638204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).