Propanediamide, N,N-bis(2-methylpropyl)-N'-((4-methoxyphenyl)thioxomethyl)-

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Basic information

CAS: 152093-65-7
Standard SMILES: COc1ccc(C(=S)NC(=O)CC(=O)N(CC(C)C)CC(C)C)cc1
InChIKey: OQXVJEKXIYBDNH-UHFFFAOYSA-N
Molecular formula: C19H28N2O3S
Average molar mass: 364.5 g/mol
Monoisotopic mass: 364.18206393

Names & identifiers

Preferred name: Propanediamide, N,N-bis(2-methylpropyl)-N'-((4-methoxyphenyl)thioxomethyl)-
IUPAC: N-(4-methoxybenzenecarbothioyl)-N',N'-bis(2-methylpropyl)propanediamide

Names & synonyms

N',N'-Diisobutyl-N-para-methoxythiobenzoylmalonodiamideN,N-Bis(2-methylpropyl)-N'-((4-methoxyphenyl)thioxomethyl)propanediamide152093-65-7Propanediamide, N,N-bis(2-methylpropyl)-N'-((4-methoxyphenyl)thioxomethyl)-RefChem:374337DTXSID109344233-[Bis(2-methylpropyl)amino]-N-(4-methoxybenzene-1-carbothioyl)-3-oxopropanimidic acid

Database identifiers

CAS: 152093-65-7
PubChem CID: 3073746
DTXSID: DTXSID10934423

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 90.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 448

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Compound notes

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