N-[[2-[[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide

C24H22N4S2 — CID 74372775

IUPACN-[[2-[[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide
SMILESCN(N=Cc1ccccc1C=NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1
InChIInChI=1S/C24H22N4S2/c1-27(23(29)19-11-5-3-6-12-19)25-17-21-15-9-10-16-22(21)18-26-28(2)24(30)20-13-7-4-8-14-20/h3-18H,1-2H3
InChIKeyOQSKKJQDCLTMFL-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.97
Rot. Bonds6

About N-[[2-[[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide

N-[[2-[[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide (PubChem CID 74372775) has the molecular formula C24H22N4S2 and a molecular weight of 430.60 g/mol. Its IUPAC name is N-[[2-[[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide.

Molecular Properties

Compound NameN-[[2-[[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide
PubChem CID74372775
Molecular FormulaC24H22N4S2
Molecular Weight430.60 g/mol
Exact Mass430.13
IUPAC NameN-[[2-[[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide
SMILESCN(N=Cc1ccccc1C=NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1
InChIInChI=1S/C24H22N4S2/c1-27(23(29)19-11-5-3-6-12-19)25-17-21-15-9-10-16-22(21)18-26-28(2)24(30)20-13-7-4-8-14-20/h3-18H,1-2H3
InChIKeyOQSKKJQDCLTMFL-UHFFFAOYSA-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-[[2-[[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide?
The IUPAC name of N-[[2-[[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide (CID 74372775) is N-[[2-[[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide.
What is the SMILES notation for N-[[2-[[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide?
The canonical SMILES for N-[[2-[[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide is CN(N=Cc1ccccc1C=NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1.
What is the InChIKey of N-[[2-[[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide?
The InChIKey is OQSKKJQDCLTMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4S2/c1-27(23(29)19-11-5-3-6-12-19)25-17-21-15-9-10-16-22(21)18-26-28(2)24(30)20-13-7-4-8-14-20/h3-18H,1-2H3.
What are the key properties of N-[[2-[[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide?
N-[[2-[[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-[[2-[[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide is sourced from PubChem (CID 74372775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).