[4-(1-adamantylcarbonyl)piperazin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-(5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone Formula: C25H34N2O2S MolecularWeight: 426.61466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H34N2O2S/c1-16-2-3-21-20(8-16)12-22(30-21)23(28)26-4-6-27(7-5-26)24(29)25-13-17-9-18(14-25)11-19(10-17)15-25/h12,16-19H,2-11,13-15H2,1H3