N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-oxidanyl-adamantane-1-carboxamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-oxidanyl-adamantane-1-carboxamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-hydroxy-adamantane-1-carboxamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-3-hydroxy-1-adamantanecarboxamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-hydroxyadamantane-1-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-3-hydroxy-adamantane-1-carboxamide Formula: C25H30N2O2S2 MolecularWeight: 454.6479

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C25H30N2O2S2/c1-2-3-4-5-6-9-30-23-27-20-8-7-19(11-21(20)31-23)26-22(28)24-12-17-10-18(13-24)15-25(29,14-17)16-24/h7-8,11,17-18,29H,2-3,6,9-10,12-16H2,1H3,(H,26,28)