2-(1-adamantyl)-N-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(2-benzoyl-4-chloro-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(2-benzoyl-4-chloroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(2-benzoyl-4-chloro-phenyl)thiocarbamoyl]acetamide Formula: C26H27ClN2O2S MolecularWeight: 467.02278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H27ClN2O2S/c27-20-6-7-22(21(11-20)24(31)19-4-2-1-3-5-19)28-25(32)29-23(30)15-26-12-16-8-17(13-26)10-18(9-16)14-26/h1-7,11,16-18H,8-10,12-15H2,(H2,28,29,30,32)