532423-72-6
3-[[[[(3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
Name3-[[[[(3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
pro_formulaC19 H20 N2 O4 S
1Identification
【Name】
3-[[[[(3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03568366
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H20 N2 O4 S
【pro_molWeight】
372.443
【Inchi】
InChI=1S/C19H20N2O4S/c1-11-6-12(2)8-15(7-11)25-10-17(22)21-19(26)20-16-9-14(18(23)24)5-4-13(16)3/h4-9H,10H2,1-3H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=QGEPHWKMSKLXMX-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1NC(=S)NC(=O)COc2cc(cc(c2)C)C)C(=O)O
【MOL File】
3-[[[[(3,5-DIMETHYLP….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:6
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-[[[[(3,5-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID.cml