1-[1-(1-adamantyl)ethyl]-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]thiourea

Systemtic Name: 1-[1-(1-adamantyl)ethyl]-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]thiourea Openeye Name: 1-[1-(1-adamantyl)ethyl]-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiourea CAS Name: 1-[1-(1-adamantyl)ethyl]-3-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]thiourea IUPAC Name: 1-[1-(1-adamantyl)ethyl]-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiourea Traditional Name: 1-[1-(1-adamantyl)ethyl]-3-[[2-(1-ketophthalazin-2-yl)acetyl]amino]thiourea Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NNC(=O)CN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NNC(=O)CN4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C23H29N5O2S/c1-14(23-9-15-6-16(10-23)8-17(7-15)11-23)25-22(31)27-26-20(29)13-28-21(30)19-5-3-2-4-18(19)12-24-28/h2-5,12,14-17H,6-11,13H2,1H3,(H,26,29)(H2,25,27,31)