2-(1-adamantyl)-N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acetamide Formula: C28H31N3O2S MolecularWeight: 473.62964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C28H31N3O2S/c1-16-3-5-22(17(2)7-16)26-30-23-11-21(4-6-24(23)33-26)29-27(34)31-25(32)15-28-12-18-8-19(13-28)10-20(9-18)14-28/h3-7,11,18-20H,8-10,12-15H2,1-2H3,(H2,29,31,32,34)