2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(5-amyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C26H34N4O2S2 MolecularWeight: 498.70376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34N4O2S2/c1-2-3-4-9-23-29-30-25(34-23)27-24(32)20-7-5-6-8-21(20)33-16-22(31)28-26-13-17-10-18(14-26)12-19(11-17)15-26/h5-8,17-19H,2-4,9-16H2,1H3,(H,28,31)(H,27,30,32)