N-[6-[(3',6'-Dihydroxy-3-Oxospiro[2-Benzofuran-1,9'-Xanthene]-5-Yl)Carbamothioylamino]Hexyl]-2-(Phenylmethyl)-3-Sulfanylpropanamide
[CAS# 145724-06-7]

Identification

• Name: N-[6-[(3',6'-Dihydroxy-3-Oxospiro[2-Benzofuran-1,9'-Xanthene]-5-Yl)Carbamothioylamino]Hexyl]-2-(Phenylmethyl)-3-Sulfanylpropanamide
• Synonyms: N-[6-[(3',6'-Dihydroxy-3-Oxo-Spiro[Isobenzofuran-1,9'-Xanthene]-5-Yl)Carbamothioylamino]Hexyl]-2-(Phenylmethyl)-3-Sulfanyl-Propanamide; N-[6-[[[(3',6'-Dihydroxy-3-Oxo-5-Spiro[Isobenzofuran-1,9'-Xanthene]Yl)Amino]-Thioxomethyl]Amino]Hexyl]-2-(Mercaptomethyl)-3-Phenylpropanamide; 2-(Benzyl)-N-[6-[(3',6'-Dihydroxy-3-Keto-Spiro[Isobenzofuran-1,9'-Xanthene]-5-Yl)Thiocarbamoylamino]Hexyl]-3-Mercapto-Propionamide
• Molecular Formula: C₃₇H₃₇N₃O₆S₂
• Molecular Weight: 683.84
• CAS Registry Number: 145724-06-7
• SMILES: C1=CC(=CC2=C1C3(OC2=O)C5=C(OC4=C3C=CC(=C4)O)C=C(O)C=C5)NC(=S)NCCCCCCNC(=O)C(CC6=CC=CC=C6)CS
• InChI: 1S/C37H37N3O6S2/c41-26-11-14-30-32(20-26)45-33-21-27(42)12-15-31(33)37(30)29-13-10-25(19-28(29)35(44)46-37)40-36(48)39-17-7-2-1-6-16-38-34(43)24(22-47)18-23-8-4-3-5-9-23/h3-5,8-15,19-21,24,41-42,47H,1-2,6-7,16-18,22H2,(H,38,43)(H2,39,40,48)
• InChIKey: BWMAQIUFALCFIM-UHFFFAOYSA-N

Properties

• Density: 1.422g/cm³ (Cal.)