1-(1-adamantyl)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]thiourea Openeye Name: 1-(1-adamantyl)-3-(1,3-dioxoisoindolin-2-yl)thiourea CAS Name: 1-(1-adamantyl)-3-(1,3-dioxo-2-isoindolyl)thiourea IUPAC Name: 1-(1-adamantyl)-3-(1,3-dioxoisoindol-2-yl)thiourea Traditional Name: 1-(1-adamantyl)-3-phthalimido-thiourea Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C19H21N3O2S/c23-16-14-3-1-2-4-15(14)17(24)22(16)21-18(25)20-19-8-11-5-12(9-19)7-13(6-11)10-19/h1-4,11-13H,5-10H2,(H2,20,21,25)