5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1-butylindolin-5-yl)methylene]-1-(4-ethoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1-butylindolin-5-yl)methylene]-1-p-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C1C=CC(=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCCCN1CCC2=C1C=CC(=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C25H27N3O3S/c1-3-5-13-27-14-12-18-15-17(6-11-22(18)27)16-21-23(29)26-25(32)28(24(21)30)19-7-9-20(10-8-19)31-4-2/h6-11,15-16H,3-5,12-14H2,1-2H3,(H,26,29,32)