N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)C5COC6=CC=CC=C6O5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)C5COC6=CC=CC=C6O5

InChI

InChI=1S/C21H23N3O3S/c25-18(17-11-26-15-3-1-2-4-16(15)27-17)22-20-24-23-19(28-20)21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,12-14,17H,5-11H2,(H,22,24,25)