N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]adamantane-1-carboxamide CAS Name: N-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]adamantane-1-carboxamide Formula: C29H39N3OS MolecularWeight: 477.70446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H39N3OS/c1-21(30-28(33)29-17-23-14-24(18-29)16-25(15-23)19-29)27(26-8-5-13-34-26)32-11-9-31(10-12-32)20-22-6-3-2-4-7-22/h2-8,13,21,23-25,27H,9-12,14-20H2,1H3,(H,30,33)