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

Systemtic Name: 2,6-dimethoxy-N-[5-(3-methyloctan-3-yl)-1,3,4-thiadiazol-2-yl]benzenecarbothioamide Openeye Name: N-[5-(1-ethyl-1-methyl-hexyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxy-benzenecarbothioamide CAS Name: 2,6-dimethoxy-N-[5-(3-methyloctan-3-yl)-1,3,4-thiadiazol-2-yl]benzenecarbothioamide IUPAC Name: 2,6-dimethoxy-N-[5-(3-methyloctan-3-yl)-1,3,4-thiadiazol-2-yl]benzenecarbothioamide Traditional Name: N-[5-(1-ethyl-1-methyl-hexyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxy-thiobenzamide Formula: C20H29N3O2S2 MolecularWeight: 407.59316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CC)C1=NN=C(S1)NC(=S)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CCCCCC(C)(CC)C1=NN=C(S1)NC(=S)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C20H29N3O2S2/c1-6-8-9-13-20(3,7-2)18-22-23-19(27-18)21-17(26)16-14(24-4)11-10-12-15(16)25-5/h10-12H,6-9,13H2,1-5H3,(H,21,23,26)