2-(1-adamantyl)-N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]acetamide Formula: C30H29N3O2S MolecularWeight: 495.63516

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=CC(=C4)C5=NC6=C(O5)C=CC7=CC=CC=C76

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=CC(=C4)C5=NC6=C(O5)C=CC7=CC=CC=C76

InChI

InChI=1S/C30H29N3O2S/c34-26(17-30-14-18-10-19(15-30)12-20(11-18)16-30)32-29(36)31-23-6-3-5-22(13-23)28-33-27-24-7-2-1-4-21(24)8-9-25(27)35-28/h1-9,13,18-20H,10-12,14-17H2,(H2,31,32,34,36)