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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NN=C(S1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N4O2S2/c1-13-25-26-21(30-13)23-20(28)17-4-2-3-5-18(17)29-12-19(27)24-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-16H,6-12H2,1H3,(H,24,27)(H,23,26,28)