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

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[4-(2-thienylmethyl)piperazine-1-carbonyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[4-(2-thenyl)piperazine-1-carbonyl]propyl]adamantane-1-carboxamide Formula: C25H37N3O2S MolecularWeight: 443.64518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)CC2=CC=CS2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)CC2=CC=CS2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H37N3O2S/c1-17(2)22(23(29)28-7-5-27(6-8-28)16-21-4-3-9-31-21)26-24(30)25-13-18-10-19(14-25)12-20(11-18)15-25/h3-4,9,17-20,22H,5-8,10-16H2,1-2H3,(H,26,30)