N-[3-methyl-1-oxidanylidene-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[4-(2-thenoyl)piperazine-1-carbonyl]propyl]adamantane-1-carboxamide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C(=O)C2=CC=CS2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)C(=O)C2=CC=CS2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N3O3S/c1-16(2)21(26-24(31)25-13-17-10-18(14-25)12-19(11-17)15-25)23(30)28-7-5-27(6-8-28)22(29)20-4-3-9-32-20/h3-4,9,16-19,21H,5-8,10-15H2,1-2H3,(H,26,31)