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

Systemtic Name: 2-(1-adamantyl)-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acetamide Formula: C32H31N3O2S MolecularWeight: 521.67244

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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=C(C=C6)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC5=C(C=C4)OC(=N5)C6=CC=C(C=C6)C7=CC=CC=C7

InChI

InChI=1S/C32H31N3O2S/c36-29(19-32-16-20-12-21(17-32)14-22(13-20)18-32)35-31(38)33-26-10-11-28-27(15-26)34-30(37-28)25-8-6-24(7-9-25)23-4-2-1-3-5-23/h1-11,15,20-22H,12-14,16-19H2,(H2,33,35,36,38)