618075-28-8
(3Z)-5-BROMO-1-BUTYL-3-[3-[2-(4-METHOXYPHENYL)ETHYL]-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE
Name(3Z)-5-BROMO-1-BUTYL-3-[3-[2-(4-METHOXYPHENYL)ETHYL]-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE
FormulaC24 H23 Br N2 O3 S2
1Identification
【Name】
(3Z)-5-BROMO-1-BUTYL-3-[3-[2-(4-METHOXYPHENYL)ETHYL]-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE
【CAS】
【MDL】
MFCD03535570
【English Synonyms】
【Formula】
C24 H23 Br N2 O3 S2
【MolWeight】
531.493
【Inchi】
InChI=1S/C24H23BrN2O3S2/c1-3-4-12-26-19-10-7-16(25)14-18(19)20(22(26)28)21-23(29)27(24(31)32-21)13-11-15-5-8-17(30-2)9-6-15/h5-10,14H,3-4,11-13H2,1-2H3/b21-20-
【InChIKey】
InChIKey=SHMPKPNYYAQJNT-MRCUWXFGSA-N
【SMILES】
CCCCN1c2ccc(cc2/C(=C/3\C(=O)N(C(=S)S3)CCc4ccc(cc4)OC)/C1=O)Br
【MOL File】
(3Z)-5-BROMO-1-BUTYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3Z)-5-BROMO-1-BUTYL-3-[3-[2-(4-METHOXYPHENYL)ETHYL]-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE.cml