535948-05-1
2-METHYL-3-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name2-METHYL-3-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
pro_formulaC23 H20 N2 O4 S
1Identification
【Name】
2-METHYL-3-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03572018
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C23 H20 N2 O4 S
【pro_molWeight】
420.487
【Inchi】
InChI=1S/C23H20N2O4S/c1-15-19(22(27)28)11-6-12-20(15)24-23(30)25-21(26)17-8-5-7-16(13-17)14-29-18-9-3-2-4-10-18/h2-13H,14H2,1H3,(H,27,28)(H2,24,25,26,30)
【InChIKey】
InChIKey=KUVKDOIDGOTJSF-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1NC(=S)NC(=O)c2cccc(c2)COc3ccccc3)C(=O)O
【MOL File】
2-METHYL-3-[[[[3-(PH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:6
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-METHYL-3-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml