N-(3-Amino-3-thioxopropyl)-N-[2-(dimethylamino)ethyl]benzenepropanamide

HCID 93802405

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Basic information

CAS: 1225950-58-2
Standard SMILES: CN(C)CCN(CCC(N)=S)C(=O)CCc1ccccc1
InChIKey: ZQNRXLGDJDFCRH-UHFFFAOYSA-N
Molecular formula: C16H25N3OS
Average molar mass: 307.5 g/mol
Monoisotopic mass: 307.1718336

Names & identifiers

Preferred name: N-(3-Amino-3-thioxopropyl)-N-[2-(dimethylamino)ethyl]benzenepropanamide
IUPAC: N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide

Names & synonyms

DTXSID801151672N-(3-Amino-3-thioxopropyl)-N-[2-(dimethylamino)ethyl]benzenepropanamideN-(3-Amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide1225950-58-2

Database identifiers

CAS: 1225950-58-2
PubChem CID: 93802405
DTXSID: DTXSID801151672

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 81.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 9
Heavy atoms: 21
Formal charge: 0
Complexity: 327

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