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

Systemtic Name: 2-(1-adamantyl)-N-[[2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acetamide Formula: C26H25BrClN3O2S MolecularWeight: 558.9176

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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=C(C=CC(=C6)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrClN3O2S/c27-17-1-3-20(28)19(8-17)24-30-21-9-18(2-4-22(21)33-24)29-25(34)31-23(32)13-26-10-14-5-15(11-26)7-16(6-14)12-26/h1-4,8-9,14-16H,5-7,10-13H2,(H2,29,31,32,34)