(5E)-3-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-5-(3-Ethyl-4-Oxo-2-Thioxo-1,3-Thiazolidin-5-Ylidene)-3-Cyclohexene-1-Carboxamide
[CAS# 54118-08-0]

Identification

• Name: (5E)-3-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-5-(3-Ethyl-4-Oxo-2-Thioxo-1,3-Thiazolidin-5-Ylidene)-3-Cyclohexene-1-Carboxamide
• Synonyms: (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; 3-Cyclohexene-1-carboxamide, 3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)- (9CI)
• Molecular Formula: C₂₂H₂₃N₃O₂S₃
• Molecular Weight: 457.63
• CAS Registry Number: 54118-08-0
• SMILES: CCN1c2ccccc2SC1=CC3=CC(=C4C(=O)N(C(=S)S4)CC)CC(C3)C(=O)N
• 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: KNQIPOCPLZBUAU-RPCNFCPDSA-N

Properties

• Density: 1.441g/cm³ (Cal.)
• Boiling point: 595.465°C at 760 mmHg (Cal.)
• Flash point: 313.926°C (Cal.)