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

Systemtic Name: 2-(1-adamantyl)-N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[3-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[3-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]acetamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=CC(=C4)C5=NC6=CC=CC=C6O5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=CC(=C4)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C26H27N3O2S/c30-23(15-26-12-16-8-17(13-26)10-18(9-16)14-26)29-25(32)27-20-5-3-4-19(11-20)24-28-21-6-1-2-7-22(21)31-24/h1-7,11,16-18H,8-10,12-15H2,(H2,27,29,30,32)