3-chloro-4-ethoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide

HCID 3912934

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Basic information

CAS: 443291-95-0
Standard SMILES: CCOc1ccc(C(=O)NC(=S)Nc2ccccc2OC)cc1Cl
InChIKey: PGJCDINKJBICTH-UHFFFAOYSA-N
Molecular formula: C17H17ClN2O3S
Average molar mass: 364.8 g/mol
Monoisotopic mass: 364.0648413

Names & identifiers

Preferred name: 3-chloro-4-ethoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
IUPAC: 3-chloro-4-ethoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide

Names & synonyms

3-chloro-4-ethoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamideDTXSID301163448443291-95-0N-(3-Chloro-4-ethoxybenzoyl)-N'-(2-methoxyphenyl)thiourea3-Chloro-4-ethoxy-N-[[(2-methoxyphenyl)amino]thioxomethyl]benzamide

Database identifiers

CAS: 443291-95-0
PubChem CID: 3912934
DTXSID: DTXSID301163448

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 91.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 438

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