[4-(1-adamantylcarbonyl)piperazin-1-yl]-[4-(1,3-dithiolan-2-yl)phenyl]methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-[4-(1,3-dithiolan-2-yl)phenyl]methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-[4-(1,3-dithiolan-2-yl)phenyl]methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-[4-(1,3-dithiolan-2-yl)phenyl]methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-[4-(1,3-dithiolan-2-yl)phenyl]methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-[4-(1,3-dithiolan-2-yl)phenyl]methanone Formula: C25H32N2O2S2 MolecularWeight: 456.66378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)C3SCCS3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)C3SCCS3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H32N2O2S2/c28-22(20-1-3-21(4-2-20)23-30-9-10-31-23)26-5-7-27(8-6-26)24(29)25-14-17-11-18(15-25)13-19(12-17)16-25/h1-4,17-19,23H,5-16H2