[4-(1-adamantylcarbonyl)piperazin-1-yl]-(3-chloranyl-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-(3-chloranyl-1-benzothiophen-2-yl)methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(3-chlorobenzothiophen-2-yl)methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-(3-chloro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(3-chloro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-(3-chlorobenzothiophen-2-yl)methanone Formula: C24H27ClN2O2S MolecularWeight: 443.00138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H27ClN2O2S/c25-20-18-3-1-2-4-19(18)30-21(20)22(28)26-5-7-27(8-6-26)23(29)24-12-15-9-16(13-24)11-17(10-15)14-24/h1-4,15-17H,5-14H2