535958-14-6
4-[[[[3-(1-METHYLPROPOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
4-[[[[3-(1-METHYLPROPOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C19 H20 N2 O4 S
MolWeight
372.443
1Identification
【Name】
4-[[[[3-(1-METHYLPROPOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03572517
【English Synonyms】
【Formula】
C19 H20 N2 O4 S
【MolWeight】
372.443
【Inchi】
InChI=1S/C19H20N2O4S/c1-3-12(2)25-16-6-4-5-14(11-16)17(22)21-19(26)20-15-9-7-13(8-10-15)18(23)24/h4-12H,3H2,1-2H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=RUGGITASGVZEED-UHFFFAOYSA-N
【SMILES】
CCC(C)Oc1cccc(c1)C(=O)NC(=S)Nc2ccc(cc2)C(=O)O
【MOL File】
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-[[[[3-(1-METHYLPROPOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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