1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanone Openeye Name: 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-[(5-chloro-2-thienyl)methylsulfanyl]ethanone CAS Name: 1-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-2-[(5-chloro-2-thiophenyl)methylthio]ethanone IUPAC Name: 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-[(5-chlorothiophen-2-yl)methylsulfanyl]ethanone Traditional Name: 1-[4-(adamantane-1-carbonyl)piperazino]-2-[(5-chloro-2-thienyl)methylthio]ethanone Formula: C22H29ClN2O2S2 MolecularWeight: 453.06086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=CC=C(S2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=CC=C(S2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29ClN2O2S2/c23-19-2-1-18(29-19)13-28-14-20(26)24-3-5-25(6-4-24)21(27)22-10-15-7-16(11-22)9-17(8-15)12-22/h1-2,15-17H,3-14H2