3-(1-adamantyl)-4-(dimethylcarbamoylsulfanyl)benzoate

Systemtic Name: 3-(1-adamantyl)-4-(dimethylcarbamoylsulfanyl)benzoate Openeye Name: 3-(1-adamantyl)-4-(dimethylcarbamoylsulfanyl)benzoate CAS Name: 3-(1-adamantyl)-4-[[dimethylamino(oxo)methyl]thio]benzoate IUPAC Name: 3-(1-adamantyl)-4-(dimethylcarbamoylsulfanyl)benzoate Traditional Name: 3-(1-adamantyl)-4-(dimethylcarbamoylthio)benzoate Formula: C20H24NO3S- MolecularWeight: 358.47446

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)SC1=C(C=C(C=C1)C(=O)[O-])C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(C)C(=O)SC1=C(C=C(C=C1)C(=O)[O-])C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H25NO3S/c1-21(2)19(24)25-17-4-3-15(18(22)23)8-16(17)20-9-12-5-13(10-20)7-14(6-12)11-20/h3-4,8,12-14H,5-7,9-11H2,1-2H3,(H,22,23)/p-1