532980-87-3
2-METHYL-3-[[[[4-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
2-METHYL-3-[[[[4-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C23 H20 N2 O4 S
MolWeight
420.487
1Identification
【Name】
2-METHYL-3-[[[[4-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03570728
【English Synonyms】
【Formula】
C23 H20 N2 O4 S
【MolWeight】
420.487
【Inchi】
InChI=1S/C23H20N2O4S/c1-15-19(22(27)28)8-5-9-20(15)24-23(30)25-21(26)17-12-10-16(11-13-17)14-29-18-6-3-2-4-7-18/h2-13H,14H2,1H3,(H,27,28)(H2,24,25,26,30)
【InChIKey】
InChIKey=SKYVEFZUKHSTLR-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1NC(=S)NC(=O)c2ccc(cc2)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
2-METHYL-3-[[[[4-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U86402 nullnull
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Catalog No:U86402 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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