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

Systemtic Name: 2-(1-adamantyl)-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]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=CC5=C(C=C4)OC(=N5)C6=CC=CC7=CC=CC=C76

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC5=C(C=C4)OC(=N5)C6=CC=CC7=CC=CC=C76

InChI

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