N-(1-adamantylcarbamoyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[4-(2-thenoyl)piperazino]propionamide Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C23H32N4O3S/c1-15(26-4-6-27(7-5-26)21(29)19-3-2-8-31-19)20(28)24-22(30)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h2-3,8,15-18H,4-7,9-14H2,1H3,(H2,24,25,28,30)