2,6-dimethoxy-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)benzenecarbothioamide

Systemtic Name: 2,6-dimethoxy-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)benzenecarbothioamide Openeye Name: 2,6-dimethoxy-N-[5-(1-methylbutyl)-1,3,4-thiadiazol-2-yl]benzenecarbothioamide CAS Name: 2,6-dimethoxy-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)benzenecarbothioamide IUPAC Name: 2,6-dimethoxy-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)benzenecarbothioamide Traditional Name: 2,6-dimethoxy-N-[5-(1-methylbutyl)-1,3,4-thiadiazol-2-yl]thiobenzamide Formula: C16H21N3O2S2 MolecularWeight: 351.48684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S2/c1-5-7-10(2)15-18-19-16(23-15)17-14(22)13-11(20-3)8-6-9-12(13)21-4/h6,8-10H,5,7H2,1-4H3,(H,17,19,22)