7-tert-butyl-2-methyl-6-oxidanyl-N-phenyl-3,4-dihydrochromene-2-carbothioamide

Systemtic Name: 7-tert-butyl-2-methyl-6-oxidanyl-N-phenyl-3,4-dihydrochromene-2-carbothioamide Openeye Name: 7-tert-butyl-6-hydroxy-2-methyl-N-phenyl-chromane-2-carbothioamide CAS Name: 7-tert-butyl-6-hydroxy-2-methyl-N-phenyl-3,4-dihydro-2H-1-benzopyran-2-carbothioamide IUPAC Name: 7-tert-butyl-6-hydroxy-2-methyl-N-phenyl-3,4-dihydrochromene-2-carbothioamide Traditional Name: 7-tert-butyl-6-hydroxy-2-methyl-N-phenyl-chroman-2-carbothioamide Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=CC(=C(C=C2O1)C(C)(C)C)O)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1(CCC2=CC(=C(C=C2O1)C(C)(C)C)O)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H25NO2S/c1-20(2,3)16-13-18-14(12-17(16)23)10-11-21(4,24-18)19(25)22-15-8-6-5-7-9-15/h5-9,12-13,23H,10-11H2,1-4H3,(H,22,25)