2,6-diethoxy-N-[5-(1-ethylcyclopentyl)-1,3,4-thiadiazol-2-yl]benzenecarbothioamide

Systemtic Name: 2,6-diethoxy-N-[5-(1-ethylcyclopentyl)-1,3,4-thiadiazol-2-yl]benzenecarbothioamide Openeye Name: 2,6-diethoxy-N-[5-(1-ethylcyclopentyl)-1,3,4-thiadiazol-2-yl]benzenecarbothioamide CAS Name: 2,6-diethoxy-N-[5-(1-ethylcyclopentyl)-1,3,4-thiadiazol-2-yl]benzenecarbothioamide IUPAC Name: 2,6-diethoxy-N-[5-(1-ethylcyclopentyl)-1,3,4-thiadiazol-2-yl]benzenecarbothioamide Traditional Name: 2,6-diethoxy-N-[5-(1-ethylcyclopentyl)-1,3,4-thiadiazol-2-yl]thiobenzamide Formula: C20H27N3O2S2 MolecularWeight: 405.57728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCC1)C2=NN=C(S2)NC(=S)C3=C(C=CC=C3OCC)OCC

Isomeric SMILES

CCC1(CCCC1)C2=NN=C(S2)NC(=S)C3=C(C=CC=C3OCC)OCC

InChI

InChI=1S/C20H27N3O2S2/c1-4-20(12-7-8-13-20)18-22-23-19(27-18)21-17(26)16-14(24-5-2)10-9-11-15(16)25-6-3/h9-11H,4-8,12-13H2,1-3H3,(H,21,23,26)