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

Systemtic Name: 2-(1-adamantyl)-N-[[4-(4-chloranylphenoxy)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(4-chlorophenoxy)phenyl]thiocarbamoyl]acetamide Formula: C25H27ClN2O2S MolecularWeight: 455.01208

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=C(C=C4)OC5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC=C(C=C4)OC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H27ClN2O2S/c26-19-1-5-21(6-2-19)30-22-7-3-20(4-8-22)27-24(31)28-23(29)15-25-12-16-9-17(13-25)11-18(10-16)14-25/h1-8,16-18H,9-15H2,(H2,27,28,29,31)