[4-(1-adamantylcarbonyl)piperazin-1-yl]-(2-chloranyl-5-methylsulfanyl-phenyl)methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-(2-chloranyl-5-methylsulfanyl-phenyl)methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(2-chloro-5-methylsulfanyl-phenyl)methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-[2-chloro-5-(methylthio)phenyl]methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-[2-chloro-5-(methylthio)phenyl]methanone Formula: C23H29ClN2O2S MolecularWeight: 433.00656

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29ClN2O2S/c1-29-18-2-3-20(24)19(11-18)21(27)25-4-6-26(7-5-25)22(28)23-12-15-8-16(13-23)10-17(9-15)14-23/h2-3,11,15-17H,4-10,12-14H2,1H3