N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide

C23H26N4S2 — CID 24955056

IUPACN-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide
SMILESCN(/N=C/C1CCC/C(=N\N(C)C(=S)c2ccccc2)C1)C(=S)c1ccccc1
InChIInChI=1S/C23H26N4S2/c1-26(22(28)19-11-5-3-6-12-19)24-17-18-10-9-15-21(16-18)25-27(2)23(29)20-13-7-4-8-14-20/h3-8,11-14,17-18H,9-10,15-16H2,1-2H3/b24-17+,25-21+
InChIKeyBFKMICCCSRJRNE-IFNFAZRXSA-N
MW422.62 g/mol
LogP5.13
Rot. Bonds5

About N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide

N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide (PubChem CID 24955056) has the molecular formula C23H26N4S2 and a molecular weight of 422.62 g/mol. Its IUPAC name is N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide.

Molecular Properties

Compound NameN-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide
PubChem CID24955056
Molecular FormulaC23H26N4S2
Molecular Weight422.62 g/mol
Exact Mass422.16
IUPAC NameN-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide
SMILESCN(/N=C/C1CCC/C(=N\N(C)C(=S)c2ccccc2)C1)C(=S)c1ccccc1
InChIInChI=1S/C23H26N4S2/c1-26(22(28)19-11-5-3-6-12-19)24-17-18-10-9-15-21(16-18)25-27(2)23(29)20-13-7-4-8-14-20/h3-8,11-14,17-18H,9-10,15-16H2,1-2H3/b24-17+,25-21+
InChIKeyBFKMICCCSRJRNE-IFNFAZRXSA-N
XLogP5.13
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.62
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide?
The IUPAC name of N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide (CID 24955056) is N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide.
What is the SMILES notation for N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide?
The canonical SMILES for N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide is CN(/N=C/C1CCC/C(=N\N(C)C(=S)c2ccccc2)C1)C(=S)c1ccccc1.
What is the InChIKey of N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide?
The InChIKey is BFKMICCCSRJRNE-IFNFAZRXSA-N. The full InChI is InChI=1S/C23H26N4S2/c1-26(22(28)19-11-5-3-6-12-19)24-17-18-10-9-15-21(16-18)25-27(2)23(29)20-13-7-4-8-14-20/h3-8,11-14,17-18H,9-10,15-16H2,1-2H3/b24-17+,25-21+.
What are the key properties of N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide?
N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide has a molecular weight of 422.62 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]cyclohexyl]methylideneamino]-N-methylbenzenecarbothioamide is sourced from PubChem (CID 24955056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).