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

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-ethoxy-benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-ethoxy-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-ethoxybenzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-ethoxybenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-ethoxy-benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25N3O2S/c1-2-26-17-5-3-4-16(9-17)18(25)22-20-24-23-19(27-20)21-10-13-6-14(11-21)8-15(7-13)12-21/h3-5,9,13-15H,2,6-8,10-12H2,1H3,(H,22,24,25)