N-(5,7-dimethyl-1H-cinnolin-2-yl)-2,5,7,8-tetraethyl-6-oxidanyl-3,4-dihydrochromene-2-carbothioamide

Systemtic Name: N-(5,7-dimethyl-1H-cinnolin-2-yl)-2,5,7,8-tetraethyl-6-oxidanyl-3,4-dihydrochromene-2-carbothioamide Openeye Name: N-(5,7-dimethyl-1H-cinnolin-2-yl)-2,5,7,8-tetraethyl-6-hydroxy-chromane-2-carbothioamide CAS Name: N-(5,7-dimethyl-1H-cinnolin-2-yl)-2,5,7,8-tetraethyl-6-hydroxy-3,4-dihydro-2H-1-benzopyran-2-carbothioamide IUPAC Name: N-(5,7-dimethyl-1H-cinnolin-2-yl)-2,5,7,8-tetraethyl-6-hydroxy-3,4-dihydrochromene-2-carbothioamide Traditional Name: N-(5,7-dimethyl-1H-cinnolin-2-yl)-2,5,7,8-tetraethyl-6-hydroxy-chroman-2-carbothioamide Formula: C28H37N3O2S MolecularWeight: 479.67728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCC(OC2=C(C(=C1O)CC)CC)(CC)C(=S)NN3C=CC4=C(C=C(C=C4N3)C)C

Isomeric SMILES

CCC1=C2CCC(OC2=C(C(=C1O)CC)CC)(CC)C(=S)NN3C=CC4=C(C=C(C=C4N3)C)C

InChI

InChI=1S/C28H37N3O2S/c1-7-19-21(9-3)26-23(20(8-2)25(19)32)11-13-28(10-4,33-26)27(34)30-31-14-12-22-18(6)15-17(5)16-24(22)29-31/h12,14-16,29,32H,7-11,13H2,1-6H3,(H,30,34)