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

Systemtic Name: 2-(1-adamantyl)-N-[[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(4-benzoylpiperazino)phenyl]thiocarbamoyl]acetamide Formula: C30H36N4O2S MolecularWeight: 516.69744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)C(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C30H36N4O2S/c35-27(20-30-17-21-14-22(18-30)16-23(15-21)19-30)32-29(37)31-25-6-8-26(9-7-25)33-10-12-34(13-11-33)28(36)24-4-2-1-3-5-24/h1-9,21-23H,10-20H2,(H2,31,32,35,37)