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

Systemtic Name: 2-(1-adamantyl)-N-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[3-(2-oxochromen-3-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[3-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[3-(2-oxochromen-3-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[3-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]acetamide Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=CC(=C4)C5=CC6=CC=CC=C6OC5=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=CC(=C4)C5=CC6=CC=CC=C6OC5=O

InChI

InChI=1S/C28H28N2O3S/c31-25(16-28-13-17-8-18(14-28)10-19(9-17)15-28)30-27(34)29-22-6-3-5-20(11-22)23-12-21-4-1-2-7-24(21)33-26(23)32/h1-7,11-12,17-19H,8-10,13-16H2,(H2,29,30,31,34)