2-dibenzofuran-2-ylsulfanyl-2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-butanamide

Systemtic Name: 2-dibenzofuran-2-ylsulfanyl-2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-butanamide Openeye Name: 2-dibenzofuran-2-ylsulfanyl-2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentyl-butanamide CAS Name: 2-(2-dibenzofuranylthio)-2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentylbutanamide IUPAC Name: 2-dibenzofuran-2-ylsulfanyl-2-(6,6-dimethylhepta-2,4-diynylamino)-N-pentylbutanamide Traditional Name: N-amyl-2-(dibenzofuran-2-ylthio)-2-(6,6-dimethylhepta-2,4-diynylamino)butyramide Formula: C30H36N2O2S MolecularWeight: 488.68404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC2=C(C=C1)OC3=CC=CC=C32

Isomeric SMILES

CCCCCNC(=O)C(CC)(NCC#CC#CC(C)(C)C)SC1=CC2=C(C=C1)OC3=CC=CC=C32

InChI

InChI=1S/C30H36N2O2S/c1-6-8-13-20-31-28(33)30(7-2,32-21-14-9-12-19-29(3,4)5)35-23-17-18-27-25(22-23)24-15-10-11-16-26(24)34-27/h10-11,15-18,22,32H,6-8,13,20-21H2,1-5H3,(H,31,33)