535963-12-3
3-[[[(3-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Name3-[[[(3-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
1Identification
【Name】
3-[[[(3-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03572604
【English Synonyms】
【Formula】
C20 H22 N2 O4 S
【MolWeight】
386.47
【Inchi】
InChI=1S/C20H22N2O4S/c1-3-4-11-26-15-8-5-7-14(12-15)18(23)22-20(27)21-17-10-6-9-16(13(17)2)19(24)25/h5-10,12H,3-4,11H2,1-2H3,(H,24,25)(H2,21,22,23,27)
【InChIKey】
InChIKey=LSPBQVPZHOZFAG-UHFFFAOYSA-N
【SMILES】
CCCCOc1cccc(c1)C(=O)NC(=S)Nc2cccc(c2C)C(=O)O
【MOL File】
3-[[[(3-BUTOXYBENZOY….mol
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
3-[[[(3-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID.cml