N-4-chlorobenzyl-N-cyclopentyl-N'-phenylthiourea

HCID 13018271

Notes Reactions

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Basic information

CAS: 66063-06-7
Standard SMILES: S=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1
InChIKey: VBHIWOVEZHGLRV-UHFFFAOYSA-N
Molecular formula: C19H21ClN2S
Average molar mass: 344.9 g/mol
Monoisotopic mass: 344.11139735

Names & identifiers

Preferred name: N-4-chlorobenzyl-N-cyclopentyl-N'-phenylthiourea
IUPAC: 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylthiourea

Names & synonyms

N-4-chlorobenzyl-N-cyclopentyl-N'-phenylthioureaSCHEMBL11618438VBHIWOVEZHGLRV-UHFFFAOYSA-NDTXSID40119280866063-06-7N-[(4-Chlorophenyl)methyl]-N-cyclopentyl-N'-phenylthioureaN-[(4-Chlorophenyl)methyl]-N-cyclopentyl-Na(2)-phenylthiourea

Database identifiers

CAS: 66063-06-7
PubChem CID: 13018271
DTXSID: DTXSID401192808

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 47.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 370

Related reactions

2 records

New reaction record

HRID 1547888As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1704752As productuspto-grants-1978_11

Compound notes

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