N-isoquinolin-5-yl-2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromene-2-carbothioamide

Systemtic Name: N-isoquinolin-5-yl-2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromene-2-carbothioamide Openeye Name: 6-hydroxy-N-(5-isoquinolyl)-2,5,7,8-tetramethyl-chromane-2-carbothioamide CAS Name: 6-hydroxy-N-(5-isoquinolinyl)-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carbothioamide IUPAC Name: 6-hydroxy-N-isoquinolin-5-yl-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbothioamide Traditional Name: 6-hydroxy-N-(5-isoquinolyl)-2,5,7,8-tetramethyl-chroman-2-carbothioamide Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(OC2=C1C)(C)C(=S)NC3=CC=CC4=C3C=CN=C4)C)O

Isomeric SMILES

CC1=C(C(=C2CCC(OC2=C1C)(C)C(=S)NC3=CC=CC4=C3C=CN=C4)C)O

InChI

InChI=1S/C23H24N2O2S/c1-13-14(2)21-17(15(3)20(13)26)8-10-23(4,27-21)22(28)25-19-7-5-6-16-12-24-11-9-18(16)19/h5-7,9,11-12,26H,8,10H2,1-4H3,(H,25,28)