N-[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanoylamino]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanoylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-(4,5-dihydrothiazol-2-ylsulfanyl)acetyl]amino]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[2-(4,5-dihydrothiazol-2-ylthio)-1-oxoethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-(2-thiazolin-2-ylthio)acetyl]amino]phenyl]adamantane-1-carboxamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCC(=O)NC2=CC=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CSC(=N1)SCC(=O)NC2=CC=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O2S2/c26-19(13-29-21-23-4-5-28-21)24-17-2-1-3-18(9-17)25-20(27)22-10-14-6-15(11-22)8-16(7-14)12-22/h1-3,9,14-16H,4-8,10-13H2,(H,24,26)(H,25,27)