2,6-dibutoxy-N-[6-(1-cycloheptylpentan-3-yl)pyridazin-3-yl]benzenecarbothioamide

Systemtic Name: 2,6-dibutoxy-N-[6-(1-cycloheptylpentan-3-yl)pyridazin-3-yl]benzenecarbothioamide Openeye Name: 2,6-dibutoxy-N-[6-(3-cycloheptyl-1-ethyl-propyl)pyridazin-3-yl]benzenecarbothioamide CAS Name: 2,6-dibutoxy-N-[6-(1-cycloheptylpentan-3-yl)-3-pyridazinyl]benzenecarbothioamide IUPAC Name: 2,6-dibutoxy-N-[6-(1-cycloheptylpentan-3-yl)pyridazin-3-yl]benzenecarbothioamide Traditional Name: 2,6-dibutoxy-N-[6-(3-cycloheptyl-1-ethyl-propyl)pyridazin-3-yl]thiobenzamide Formula: C31H47N3O2S MolecularWeight: 525.78878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=CC=C1)OCCCC)C(=S)NC2=NN=C(C=C2)C(CC)CCC3CCCCCC3

Isomeric SMILES

CCCCOC1=C(C(=CC=C1)OCCCC)C(=S)NC2=NN=C(C=C2)C(CC)CCC3CCCCCC3

InChI

InChI=1S/C31H47N3O2S/c1-4-7-22-35-27-16-13-17-28(36-23-8-5-2)30(27)31(37)32-29-21-20-26(33-34-29)25(6-3)19-18-24-14-11-9-10-12-15-24/h13,16-17,20-21,24-25H,4-12,14-15,18-19,22-23H2,1-3H3,(H,32,34,37)