N-(1,2-diethylpyrazolidin-4-yl)-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]benzenecarbothioamide

Systemtic Name: N-(1,2-diethylpyrazolidin-4-yl)-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]benzenecarbothioamide Openeye Name: N-(1,2-diethylpyrazolidin-4-yl)-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]benzenecarbothioamide CAS Name: N-(1,2-diethyl-4-pyrazolidinyl)-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]benzenecarbothioamide IUPAC Name: N-(1,2-diethylpyrazolidin-4-yl)-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]benzenecarbothioamide Traditional Name: N-(1,2-diethylpyrazolidin-4-yl)-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]thiobenzamide Formula: C24H37N3OS MolecularWeight: 415.63508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(CN1CC)NC(=S)C2=CC=C(C=C2)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCN1CC(CN1CC)NC(=S)C2=CC=C(C=C2)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C24H37N3OS/c1-6-26-17-22(18-27(26)7-2)25-24(29)21-11-13-23(14-12-21)28-16-15-20(5)10-8-9-19(3)4/h9,11-15,22H,6-8,10,16-18H2,1-5H3,(H,25,29)/b20-15+