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

Systemtic Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-3-hydroxy-adamantane-1-carboxamide CAS Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-3-hydroxy-1-adamantanecarboxamide IUPAC Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-3-hydroxyadamantane-1-carboxamide Traditional Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-3-hydroxy-adamantane-1-carboxamide Formula: C24H30N2O4S2 MolecularWeight: 474.636

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)O

Isomeric SMILES

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)O

InChI

InChI=1S/C24H30N2O4S2/c27-21(23-10-15-8-16(11-23)13-24(28,12-15)14-23)25-17-2-3-18-19(9-17)32-22(26-18)31-7-4-20-29-5-1-6-30-20/h2-3,9,15-16,20,28H,1,4-8,10-14H2,(H,25,27)