767313-98-4
4-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05720787
【English Synonyms】
【Formula】
C24 H23 N3 O3 S
【MolWeight】
433.53
【Inchi】
InChI=1S/C24H23N3O3S/c1-2-16-29-21-14-10-19(11-15-21)23(28)30-22-12-8-18(9-13-22)17-25-27-24(31)26-20-6-4-3-5-7-20/h3-15,17H,2,16H2,1H3,(H2,26,27,31)/b25-17+
【InChIKey】
InChIKey=UJRHEXMDTACHBG-KOEQRZSOSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)/C=N/NC(=S)Nc3ccccc3
【MOL File】
4-(2-(ANILINOCARBOTH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml