532423-09-9
2-METHYL-3-[[[[3-(1-METHYLETHOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name2-METHYL-3-[[[[3-(1-METHYLETHOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
pro_formulaC19 H20 N2 O4 S
1Identification
【Name】
2-METHYL-3-[[[[3-(1-METHYLETHOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03568316
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H20 N2 O4 S
【pro_molWeight】
372.443
【Inchi】
InChI=1S/C19H20N2O4S/c1-11(2)25-14-7-4-6-13(10-14)17(22)21-19(26)20-16-9-5-8-15(12(16)3)18(23)24/h4-11H,1-3H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=NRXGVDBKMYUGSE-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1NC(=S)NC(=O)c2cccc(c2)OC(C)C)C(=O)O
【MOL File】
2-METHYL-3-[[[[3-(1-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:6
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-METHYL-3-[[[[3-(1-METHYLETHOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml