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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C23H28N4O2S3 MolecularWeight: 488.68902

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N4O2S3/c1-2-30-22-27-26-21(32-22)24-20(29)17-5-3-4-6-18(17)31-13-19(28)25-23-10-14-7-15(11-23)9-16(8-14)12-23/h3-6,14-16H,2,7-13H2,1H3,(H,25,28)(H,24,26,29)