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

Systemtic Name: 2-(1-adamantyl)-N-[[2-(5-chloranylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(5-chloro-1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acetamide Formula: C30H28ClN3O2S MolecularWeight: 530.08022

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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=C6C=CC=C7Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC5=C(C=C4)OC(=N5)C6=CC=CC7=C6C=CC=C7Cl

InChI

InChI=1S/C30H28ClN3O2S/c31-24-6-2-3-21-22(24)4-1-5-23(21)28-33-25-12-20(7-8-26(25)36-28)32-29(37)34-27(35)16-30-13-17-9-18(14-30)11-19(10-17)15-30/h1-8,12,17-19H,9-11,13-16H2,(H2,32,34,35,37)