S-[3-(1-adamantylcarbonylsulfanyl)quinoxalin-2-yl] adamantane-1-carbothioate

Systemtic Name: S-[3-(1-adamantylcarbonylsulfanyl)quinoxalin-2-yl] adamantane-1-carbothioate Openeye Name: S-[3-(adamantane-1-carbonylsulfanyl)quinoxalin-2-yl] adamantane-1-carbothioate CAS Name: 1-adamantanecarbothioic acid S-[3-[[1-adamantyl(oxo)methyl]thio]-2-quinoxalinyl] ester IUPAC Name: S-[3-(adamantane-1-carbonylsulfanyl)quinoxalin-2-yl] adamantane-1-carbothioate Traditional Name: adamantane-1-carbothioic acid S-[3-(adamantane-1-carbonylthio)quinoxalin-2-yl] ester Formula: C30H34N2O2S2 MolecularWeight: 518.73316

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)SC4=NC5=CC=CC=C5N=C4SC(=O)C67CC8CC(C6)CC(C8)C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)SC4=NC5=CC=CC=C5N=C4SC(=O)C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C30H34N2O2S2/c33-27(29-11-17-5-18(12-29)7-19(6-17)13-29)35-25-26(32-24-4-2-1-3-23(24)31-25)36-28(34)30-14-20-8-21(15-30)10-22(9-20)16-30/h1-4,17-22H,5-16H2