N-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]phenyl]adamantane-1-carboxamide Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC=C4)NC(=O)CSC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC=C4)NC(=O)CSC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H27N3O2S2/c30-23(15-32-25-29-21-6-1-2-7-22(21)33-25)27-19-4-3-5-20(11-19)28-24(31)26-12-16-8-17(13-26)10-18(9-16)14-26/h1-7,11,16-18H,8-10,12-15H2,(H,27,30)(H,28,31)