O-(4-(2-(4-Chlorophenyl)propan-2-yl)phenyl) N-methyl-N-(3-methylphenyl)carbamothioate

HCID 22903

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Basic information

CAS: 6399-25-3
Standard SMILES: Cc1cccc(N(C)C(=S)Oc2ccc(C(C)(C)c3ccc(Cl)cc3)cc2)c1
InChIKey: YGPVVPVUQVQKNO-UHFFFAOYSA-N
Molecular formula: C24H24ClNOS
Average molar mass: 410 g/mol
Monoisotopic mass: 409.1267133

Names & identifiers

Preferred name: O-(4-(2-(4-Chlorophenyl)propan-2-yl)phenyl) N-methyl-N-(3-methylphenyl)carbamothioate
IUPAC: O-[4-[2-(4-chlorophenyl)propan-2-yl]phenyl] N-methyl-N-(3-methylphenyl)carbamothioate

Names & synonyms

4AJ9MB5RGFO-(4-(2-(4-Chlorophenyl)propan-2-yl)phenyl) N-methyl-N-(3-methylphenyl)carbamothioate6399-25-3Carbamothioic acid, methyl(3-methylphenyl)-, O-(4-(1-(4-chlorophenyl)-1-methylethyl)phenyl) esterUNII-4AJ9MB5RGFO-(alpha-(p-Chlorophenyl)-p-cumenyl) M,N-dimethylthiocarbanilateO-(.ALPHA.-(P-CHLOROPHENYL)-P-CUMENYL) M,N-DIMETHYLTHIOCARBANILATECARBANILIC ACID, M,N-DIMETHYLTHIO-, O-(.ALPHA.-(P-CHLOROPHENYL)-P-CUMENYL) ESTERCarbanilic acid, M,N-dimethylthio-, O-(alpha-(p-chlorophenyl)-p-cumenyl) esterPHENOL, P-(P-CHLORO-.ALPHA.,.ALPHA.-DIMETHYLBENZYL)-, M,N-DIMETHYLTHIOCARBANILATEPhenol, p-(p-chloro-alpha,alpha-dimethylbenzyl)-, M,N-dimethylthiocarbanilate

Database identifiers

CAS: 6399-25-3
PubChem CID: 22903
UNII: 4AJ9MB5RGF

Properties

Computed structural properties

XLogP: 7.6
Topological polar surface area: 44.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 509

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