2-(1-adamantyl)-N-[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-(1-adamantyl)-N-[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]acetamide Formula: C27H32ClN3O2S MolecularWeight: 498.07988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl)C(=O)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl)C(=O)C6=CC=CS6

InChI

InChI=1S/C27H32ClN3O2S/c28-22-13-21(29-25(32)17-27-14-18-10-19(15-27)12-20(11-18)16-27)3-4-23(22)30-5-7-31(8-6-30)26(33)24-2-1-9-34-24/h1-4,9,13,18-20H,5-8,10-12,14-17H2,(H,29,32)