531530-71-9
4-CHLORO-3-[[[[(4-ETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name4-CHLORO-3-[[[[(4-ETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC18 H17 Cl N2 O4 S
1Identification
【Name】
4-CHLORO-3-[[[[(4-ETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03566023
【English Synonyms】
【Formula】
C18 H17 Cl N2 O4 S
【MolWeight】
392.861
【Inchi】
InChI=1S/C18H17ClN2O4S/c1-2-11-3-6-13(7-4-11)25-10-16(22)21-18(26)20-15-9-12(17(23)24)5-8-14(15)19/h3-9H,2,10H2,1H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=WFZLGYYWGQZWLW-UHFFFAOYSA-N
【SMILES】
CCc1ccc(cc1)OCC(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O
【MOL File】
4-CHLORO-3-[[[[(4-ET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CHLORO-3-[[[[(4-ETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml