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

Systemtic Name: 2-(1-adamantyl)-N-[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-(1-adamantyl)-N-[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[4-[4-(2-thenoyl)piperazino]phenyl]acetamide Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O2S/c31-25(18-27-15-19-12-20(16-27)14-21(13-19)17-27)28-22-3-5-23(6-4-22)29-7-9-30(10-8-29)26(32)24-2-1-11-33-24/h1-6,11,19-21H,7-10,12-18H2,(H,28,31)