N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3-oxidanyl-adamantane-1-carboxamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3-hydroxy-adamantane-1-carboxamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-3-hydroxy-1-adamantanecarboxamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3-hydroxyadamantane-1-carboxamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-3-hydroxy-adamantane-1-carboxamide Formula: C25H25N5O2S2 MolecularWeight: 491.6283

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)NC4=CC5=C(C=C4)N=C(S5)SCN6C7=CC=CC=C7N=N6

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)NC4=CC5=C(C=C4)N=C(S5)SCN6C7=CC=CC=C7N=N6

InChI

InChI=1S/C25H25N5O2S2/c31-22(24-9-15-7-16(10-24)12-25(32,11-15)13-24)26-17-5-6-19-21(8-17)34-23(27-19)33-14-30-20-4-2-1-3-18(20)28-29-30/h1-6,8,15-16,32H,7,9-14H2,(H,26,31)