(4E)-N-[C-(4-Dimethylaminophenyl)-N-[(2-Methylphenyl)Amino]Carbonimidoyl]Imino-4-(1H-Indol-3-Ylmethylidene)-2-Methyl-5-Oxoimidazole-1-Carbothioamide
[CAS# 109901-88-4]

Identification

• Name: (4E)-N-[C-(4-Dimethylaminophenyl)-N-[(2-Methylphenyl)Amino]Carbonimidoyl]Imino-4-(1H-Indol-3-Ylmethylidene)-2-Methyl-5-Oxoimidazole-1-Carbothioamide
• Synonyms: (4E)-N-[C-(4-Dimethylaminophenyl)-N-[(2-Methylphenyl)Amino]Carbonimidoyl]Imino-4-(1H-Indol-3-Ylmethylene)-2-Methyl-5-Oxo-Imidazole-1-Carbothioamide; (4E)-N-[(E)-(4-Dimethylaminophenyl)-[(2-Methylphenyl)Hydrazono]Methyl]Imino-4-(1H-Indol-3-Ylmethylene)-2-Methyl-5-Oxo-1-Imidazolecarbothioamide; (4E)-N-[C-(4-Dimethylaminophenyl)-N-[(2-Methylphenyl)Amino]Carbonimidoyl]Imino-4-(1H-Indol-3-Ylmethylene)-5-Keto-2-Methyl-Imidazole-1-Carbothioamide
• Molecular Formula: C₃₀H₂₈N₈OS
• Molecular Weight: 548.66
• CAS Registry Number: 109901-88-4
• SMILES: C2=C(C1=CC=CC=C1[NH]2)\C=C/3N=C(N(C3=O)C(=S)N=NC(=N/NC4=CC=CC=C4C)/C5=CC=C(N(C)C)C=C5)C
• InChI: 1S/C30H28N8OS/c1-19-9-5-7-11-25(19)33-34-28(21-13-15-23(16-14-21)37(3)4)35-36-30(40)38-20(2)32-27(29(38)39)17-22-18-31-26-12-8-6-10-24(22)26/h5-18,31,33H,1-4H3/b27-17+,34-28+,36-35?
• InChIKey: ZTTSSDAKBSBDSJ-IJKYBHRDSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 721.453°C at 760 mmHg (Cal.)
• Flash point: 390.121°C (Cal.)