N-butyl-2,5,7,8-tetraethyl-6-oxidanyl-N-phenyl-3,4-dihydrochromene-2-carbothioamide

Systemtic Name: N-butyl-2,5,7,8-tetraethyl-6-oxidanyl-N-phenyl-3,4-dihydrochromene-2-carbothioamide Openeye Name: N-butyl-2,5,7,8-tetraethyl-6-hydroxy-N-phenyl-chromane-2-carbothioamide CAS Name: N-butyl-2,5,7,8-tetraethyl-6-hydroxy-N-phenyl-3,4-dihydro-2H-1-benzopyran-2-carbothioamide IUPAC Name: N-butyl-2,5,7,8-tetraethyl-6-hydroxy-N-phenyl-3,4-dihydrochromene-2-carbothioamide Traditional Name: N-butyl-2,5,7,8-tetraethyl-6-hydroxy-N-phenyl-chroman-2-carbothioamide Formula: C28H39NO2S MolecularWeight: 453.67976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(=S)C2(CCC3=C(C(=C(C(=C3O2)CC)CC)O)CC)CC

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(=S)C2(CCC3=C(C(=C(C(=C3O2)CC)CC)O)CC)CC

InChI

InChI=1S/C28H39NO2S/c1-6-11-19-29(20-15-13-12-14-16-20)27(32)28(10-5)18-17-24-22(8-3)25(30)21(7-2)23(9-4)26(24)31-28/h12-16,30H,6-11,17-19H2,1-5H3