N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide Openeye Name: N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide CAS Name: N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide Traditional Name: N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C21H23N3O2S2/c25-17(16-4-2-1-3-5-16)12-27-20-24-23-19(28-20)22-18(26)21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,13-15H,6-12H2,(H,22,23,26)