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

Systemtic Name: 2,6-dimethoxy-N-[5-[4-(propan-2-yloxymethyl)hexan-3-yl]-1,3,4-thiadiazol-2-yl]benzenecarbothioamide Openeye Name: N-[5-[1-ethyl-2-(isopropoxymethyl)butyl]-1,3,4-thiadiazol-2-yl]-2,6-dimethoxy-benzenecarbothioamide CAS Name: 2,6-dimethoxy-N-[5-[4-(propan-2-yloxymethyl)hexan-3-yl]-1,3,4-thiadiazol-2-yl]benzenecarbothioamide IUPAC Name: 2,6-dimethoxy-N-[5-[4-(propan-2-yloxymethyl)hexan-3-yl]-1,3,4-thiadiazol-2-yl]benzenecarbothioamide Traditional Name: N-[5-[1-ethyl-2-(isopropoxymethyl)butyl]-1,3,4-thiadiazol-2-yl]-2,6-dimethoxy-thiobenzamide Formula: C21H31N3O3S2 MolecularWeight: 437.61914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3S2/c1-7-14(12-27-13(3)4)15(8-2)20-23-24-21(29-20)22-19(28)18-16(25-5)10-9-11-17(18)26-6/h9-11,13-15H,7-8,12H2,1-6H3,(H,22,24,28)