N-(1-adamantyl)-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-(1-adamantyl)-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide Openeye Name: N-(1-adamantyl)-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide Traditional Name: N-(1-adamantyl)-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]thio]propionamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(O4)C=CC(=C5)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(O4)C=CC(=C5)S(=O)(=O)N(C)C

InChI

InChI=1S/C22H29N3O4S2/c1-13(20(26)24-22-10-14-6-15(11-22)8-16(7-14)12-22)30-21-23-18-9-17(4-5-19(18)29-21)31(27,28)25(2)3/h4-5,9,13-16H,6-8,10-12H2,1-3H3,(H,24,26)