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

C24H22N4S2 — CID 24744016

IUPACN-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide
SMILESCN(/N=C/c1cccc(/C=N/N(C)C(=S)c2ccccc2)c1)C(=S)c1ccccc1
InChIInChI=1S/C24H22N4S2/c1-27(23(29)21-12-5-3-6-13-21)25-17-19-10-9-11-20(16-19)18-26-28(2)24(30)22-14-7-4-8-15-22/h3-18H,1-2H3/b25-17+,26-18+
InChIKeyZPCIROQONDGDKO-RPCRKUJJSA-N
MW430.60 g/mol
LogP4.97
Rot. Bonds6

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

N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide (PubChem CID 24744016) has the molecular formula C24H22N4S2 and a molecular weight of 430.60 g/mol. Its IUPAC name is N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide.

Molecular Properties

Compound NameN-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide
PubChem CID24744016
Molecular FormulaC24H22N4S2
Molecular Weight430.60 g/mol
Exact Mass430.13
IUPAC NameN-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide
SMILESCN(/N=C/c1cccc(/C=N/N(C)C(=S)c2ccccc2)c1)C(=S)c1ccccc1
InChIInChI=1S/C24H22N4S2/c1-27(23(29)21-12-5-3-6-13-21)25-17-19-10-9-11-20(16-19)18-26-28(2)24(30)22-14-7-4-8-15-22/h3-18H,1-2H3/b25-17+,26-18+
InChIKeyZPCIROQONDGDKO-RPCRKUJJSA-N
XLogP4.97
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.97
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide?
The IUPAC name of N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide (CID 24744016) is N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide.
What is the SMILES notation for N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide?
The canonical SMILES for N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide is CN(/N=C/c1cccc(/C=N/N(C)C(=S)c2ccccc2)c1)C(=S)c1ccccc1.
What is the InChIKey of N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide?
The InChIKey is ZPCIROQONDGDKO-RPCRKUJJSA-N. The full InChI is InChI=1S/C24H22N4S2/c1-27(23(29)21-12-5-3-6-13-21)25-17-19-10-9-11-20(16-19)18-26-28(2)24(30)22-14-7-4-8-15-22/h3-18H,1-2H3/b25-17+,26-18+.
What are the key properties of N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide?
N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide has a molecular weight of 430.60 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide is sourced from PubChem (CID 24744016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).