N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N3O4S/c1-4-30-19-10-18(11-20(31-5-2)21(19)32-6-3)22(29)26-24-28-27-23(33-24)25-12-15-7-16(13-25)9-17(8-15)14-25/h10-11,15-17H,4-9,12-14H2,1-3H3,(H,26,28,29)