462604-88-2
4-METHYL-3-[[[[[4-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name4-METHYL-3-[[[[[4-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
pro_formulaC20 H22 N2 O4 S
1Identification
【Name】
4-METHYL-3-[[[[[4-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03243130
【EnglishSynonyms】
【pro_formula】
C20 H22 N2 O4 S
【pro_molWeight】
386.47
【Inchi】
InChI=1S/C20H22N2O4S/c1-12(2)14-6-8-16(9-7-14)26-11-18(23)22-20(27)21-17-10-15(19(24)25)5-4-13(17)3/h4-10,12H,11H2,1-3H3,(H,24,25)(H2,21,22,23,27)
【InChIKey】
InChIKey=AHYSXTMXIJVAMF-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1NC(=S)NC(=O)COc2ccc(cc2)C(C)C)C(=O)O
【MOL File】
4-METHYL-3-[[[[[4-(1….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:6
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-METHYL-3-[[[[[4-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml