[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]thiourea

C23H21N3OS — CID 54768953

IUPAC[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]thiourea
SMILESNC(=S)N/N=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H21N3OS/c24-23(28)26-25-22(20-9-5-2-6-10-20)16-13-18-11-14-21(15-12-18)27-17-19-7-3-1-4-8-19/h1-16H,17H2,(H3,24,26,28)/b16-13+,25-22-
InChIKeyHXCJXZPPLZOZHP-PDQQUDCKSA-N
MW387.51 g/mol
LogP4.52
Rot. Bonds7

About [(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]thiourea

[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]thiourea (PubChem CID 54768953) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is [(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]thiourea.

Molecular Properties

Compound Name[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]thiourea
PubChem CID54768953
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]thiourea
SMILESNC(=S)N/N=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H21N3OS/c24-23(28)26-25-22(20-9-5-2-6-10-20)16-13-18-11-14-21(15-12-18)27-17-19-7-3-1-4-8-19/h1-16H,17H2,(H3,24,26,28)/b16-13+,25-22-
InChIKeyHXCJXZPPLZOZHP-PDQQUDCKSA-N
XLogP4.52
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]thiourea?
The IUPAC name of [(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]thiourea (CID 54768953) is [(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]thiourea.
What is the SMILES notation for [(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]thiourea?
The canonical SMILES for [(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]thiourea is NC(=S)N/N=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]thiourea?
The InChIKey is HXCJXZPPLZOZHP-PDQQUDCKSA-N. The full InChI is InChI=1S/C23H21N3OS/c24-23(28)26-25-22(20-9-5-2-6-10-20)16-13-18-11-14-21(15-12-18)27-17-19-7-3-1-4-8-19/h1-16H,17H2,(H3,24,26,28)/b16-13+,25-22-.
What are the key properties of [(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]thiourea?
[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]thiourea has a molecular weight of 387.51 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]thiourea is sourced from PubChem (CID 54768953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).