532430-11-8
2-METHYL-3-[[[[(4-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name2-METHYL-3-[[[[(4-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
pro_formulaC18 H18 N2 O4 S
1Identification
【Name】
2-METHYL-3-[[[[(4-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03570094
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H18 N2 O4 S
【pro_molWeight】
358.416
【Inchi】
InChI=1S/C18H18N2O4S/c1-11-6-8-13(9-7-11)24-10-16(21)20-18(25)19-15-5-3-4-14(12(15)2)17(22)23/h3-9H,10H2,1-2H3,(H,22,23)(H2,19,20,21,25)
【InChIKey】
InChIKey=ZYUUZKNTNYODRK-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)OCC(=O)NC(=S)Nc2cccc(c2C)C(=O)O
【MOL File】
2-METHYL-3-[[[[(4-ME….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-METHYL-3-[[[[(4-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml