2-(1-adamantyl)-N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acetamide Formula: C26H26IN3O2S MolecularWeight: 571.47301

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC5=C(C=C4)OC(=N5)C6=CC(=CC=C6)I

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC5=C(C=C4)OC(=N5)C6=CC(=CC=C6)I

InChI

InChI=1S/C26H26IN3O2S/c27-19-3-1-2-18(9-19)24-29-21-10-20(4-5-22(21)32-24)28-25(33)30-23(31)14-26-11-15-6-16(12-26)8-17(7-15)13-26/h1-5,9-10,15-17H,6-8,11-14H2,(H2,28,30,31,33)