54118-08-0
(5E)-5-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-3-[(Z)-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)METHYL]CYCLOHEX-3-ENE-1-CARBOXAMIDE
Name(5E)-5-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-3-[(Z)-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)METHYL]CYCLOHEX-3-ENE-1-CARBOXAMIDE
1Identification
【Name】
(5E)-5-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-3-[(Z)-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)METHYL]CYCLOHEX-3-ENE-1-CARBOXAMIDE
【CAS】
【MDL】
MFCD06409535
【English Synonyms】
【Formula】
C22 H23 N3 O2 S3
【MolWeight】
457.641
【Inchi】
InChI=1S/C22H23N3O2S3/c1-3-24-16-7-5-6-8-17(16)29-18(24)11-13-9-14(12-15(10-13)20(23)26)19-21(27)25(4-2)22(28)30-19/h5-9,11,15H,3-4,10,12H2,1-2H3,(H2,23,26)/b18-11-,19-14-
【InChIKey】
InChIKey=KNQIPOCPLZBUAU-RPCNFCPDSA-N
【SMILES】
CCN\1c2ccccc2S/C1=C\C3=C/C(=C/4\C(=O)N(C(=S)S4)CC)/CC(C3)C(=O)N
【MOL File】
(5E)-5-(3-ETHYL-4-OX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(5E)-5-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-3-[(Z)-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)METHYL]CYCLOHEX-3-ENE-1-CARBOXAMIDE.cml