530140-68-2
4-METHYL-3-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
4-METHYL-3-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C23 H20 N2 O4 S
MolWeight
420.487
1Identification
【Name】
4-METHYL-3-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03564568
【English Synonyms】
【Formula】
C23 H20 N2 O4 S
【MolWeight】
420.487
【Inchi】
InChI=1S/C23H20N2O4S/c1-15-10-11-18(22(27)28)13-20(15)24-23(30)25-21(26)17-7-5-6-16(12-17)14-29-19-8-3-2-4-9-19/h2-13H,14H2,1H3,(H,27,28)(H2,24,25,26,30)
【InChIKey】
InChIKey=WHHDWZIZSVXYBI-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1NC(=S)NC(=O)c2cccc(c2)COc3ccccc3)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-3-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U80165 nullnull
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Catalog No:U80165 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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