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

Systemtic Name: N-[5-(2,2-diethylbutyl)-1,3,4-thiadiazol-2-yl]-2,6-diethoxy-benzenecarbothioamide Openeye Name: N-[5-(2,2-diethylbutyl)-1,3,4-thiadiazol-2-yl]-2,6-diethoxy-benzenecarbothioamide CAS Name: N-[5-(2,2-diethylbutyl)-1,3,4-thiadiazol-2-yl]-2,6-diethoxybenzenecarbothioamide IUPAC Name: N-[5-(2,2-diethylbutyl)-1,3,4-thiadiazol-2-yl]-2,6-diethoxybenzenecarbothioamide Traditional Name: N-[5-(2,2-diethylbutyl)-1,3,4-thiadiazol-2-yl]-2,6-diethoxy-thiobenzamide Formula: C21H31N3O2S2 MolecularWeight: 421.61974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC)CC1=NN=C(S1)NC(=S)C2=C(C=CC=C2OCC)OCC

Isomeric SMILES

CCC(CC)(CC)CC1=NN=C(S1)NC(=S)C2=C(C=CC=C2OCC)OCC

InChI

InChI=1S/C21H31N3O2S2/c1-6-21(7-2,8-3)14-17-23-24-20(28-17)22-19(27)18-15(25-9-4)12-11-13-16(18)26-10-5/h11-13H,6-10,14H2,1-5H3,(H,22,24,27)