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

Systemtic Name: 2,6-diethoxy-N-[5-[3-(methylsulfanylmethyl)pentan-3-yl]-1,3,4-thiadiazol-2-yl]benzenecarbothioamide Openeye Name: 2,6-diethoxy-N-[5-[1-ethyl-1-(methylsulfanylmethyl)propyl]-1,3,4-thiadiazol-2-yl]benzenecarbothioamide CAS Name: 2,6-diethoxy-N-[5-[3-[(methylthio)methyl]pentan-3-yl]-1,3,4-thiadiazol-2-yl]benzenecarbothioamide IUPAC Name: 2,6-diethoxy-N-[5-[3-(methylsulfanylmethyl)pentan-3-yl]-1,3,4-thiadiazol-2-yl]benzenecarbothioamide Traditional Name: 2,6-diethoxy-N-[5-[1-ethyl-1-[(methylthio)methyl]propyl]-1,3,4-thiadiazol-2-yl]thiobenzamide Formula: C20H29N3O2S3 MolecularWeight: 439.65816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CSC)C1=NN=C(S1)NC(=S)C2=C(C=CC=C2OCC)OCC

Isomeric SMILES

CCC(CC)(CSC)C1=NN=C(S1)NC(=S)C2=C(C=CC=C2OCC)OCC

InChI

InChI=1S/C20H29N3O2S3/c1-6-20(7-2,13-27-5)18-22-23-19(28-18)21-17(26)16-14(24-8-3)11-10-12-15(16)25-9-4/h10-12H,6-9,13H2,1-5H3,(H,21,23,26)