532416-02-7
3-[[[[(3-METHOXY-2-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Name3-[[[[(3-METHOXY-2-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
pro_formulaC21 H18 N2 O4 S
1Identification
【Name】
3-[[[[(3-METHOXY-2-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03568010
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H18 N2 O4 S
【pro_molWeight】
394.449
【Inchi】
InChI=1S/C21H18N2O4S/c1-12-15(20(25)26)8-5-9-17(12)22-21(28)23-19(24)16-10-13-6-3-4-7-14(13)11-18(16)27-2/h3-11H,1-2H3,(H,25,26)(H2,22,23,24,28)
【InChIKey】
InChIKey=PBQSCEQFVASBQP-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1NC(=S)NC(=O)c2cc3ccccc3cc2OC)C(=O)O
【MOL File】
3-[[[[(3-METHOXY-2-N….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:6
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-[[[[(3-METHOXY-2-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID.cml