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

Systemtic Name: 5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1-butylindolin-5-yl)methylene]-1-(3,4-dimethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1-butyl-2,3-dihydroindol-5-yl)methylidene]-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1-butylindolin-5-yl)methylene]-1-(3,4-dimethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H27N3O2S MolecularWeight: 433.56578

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O2S/c1-4-5-11-27-12-10-19-14-18(7-9-22(19)27)15-21-23(29)26-25(31)28(24(21)30)20-8-6-16(2)17(3)13-20/h6-9,13-15H,4-5,10-12H2,1-3H3,(H,26,29,31)