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

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-1-keto-isochroman-3-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)C5CC6=CC=CC=C6C(=O)O5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)C5CC6=CC=CC=C6C(=O)O5

InChI

InChI=1S/C22H23N3O3S/c26-18(17-8-15-3-1-2-4-16(15)19(27)28-17)23-21-25-24-20(29-21)22-9-12-5-13(10-22)7-14(6-12)11-22/h1-4,12-14,17H,5-11H2,(H,23,25,26)