533919-67-4
2-METHYL-3-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name2-METHYL-3-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
pro_formulaC18 H18 N2 O4 S
1Identification
【Name】
2-METHYL-3-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03568933
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H18 N2 O4 S
【pro_molWeight】
358.416
【Inchi】
InChI=1S/C18H18N2O4S/c1-11-6-3-4-9-15(11)24-10-16(21)20-18(25)19-14-8-5-7-13(12(14)2)17(22)23/h3-9H,10H2,1-2H3,(H,22,23)(H2,19,20,21,25)
【InChIKey】
InChIKey=YBRHAHKCJHEIIF-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1OCC(=O)NC(=S)Nc2cccc(c2C)C(=O)O
【MOL File】
2-METHYL-3-[[[[(2-ME….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-METHYL-3-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml