(4E)-4-(1H-Indol-3-Ylmethylidene)-2-[2-[(2-Methylphenyl)Amino]Ethyl]-5-Oxo-N-(Phenylmethylideneamino)Imidazole-1-Carbothioamide
[CAS# 109911-97-9]

Identification

• Name: (4E)-4-(1H-Indol-3-Ylmethylidene)-2-[2-[(2-Methylphenyl)Amino]Ethyl]-5-Oxo-N-(Phenylmethylideneamino)Imidazole-1-Carbothioamide
• Synonyms: (4E)-4-(1H-Indol-3-Ylmethylene)-2-[2-[(2-Methylphenyl)Amino]Ethyl]-5-Oxo-N-(Phenylmethyleneamino)Imidazole-1-Carbothioamide; (4E)-4-(1H-Indol-3-Ylmethylene)-2-[2-[(2-Methylphenyl)Amino]Ethyl]-5-Oxo-N-(Phenylmethyleneamino)-1-Imidazolecarbothioamide; (4E)-N-(Benzylideneamino)-4-(1H-Indol-3-Ylmethylene)-5-Keto-2-[2-[(2-Methylphenyl)Amino]Ethyl]Imidazole-1-Carbothioamide
• Molecular Formula: C₂₉H₂₆N₆OS
• Molecular Weight: 506.62
• CAS Registry Number: 109911-97-9
• SMILES: C4=C(\C=C/1N=C(N(C1=O)C(=S)N\N=C\C2=CC=CC=C2)CCNC3=CC=CC=C3C)C5=C([NH]4)C=CC=C5
• InChI: 1S/C29H26N6OS/c1-20-9-5-7-13-24(20)30-16-15-27-33-26(17-22-19-31-25-14-8-6-12-23(22)25)28(36)35(27)29(37)34-32-18-21-10-3-2-4-11-21/h2-14,17-19,30-31H,15-16H2,1H3,(H,34,37)/b26-17+,32-18+
• InChIKey: VFWNKMCSHFUUJN-HDRIVZISSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 734.867°C at 760 mmHg (Cal.)
• Flash point: 398.233°C (Cal.)