5-[(1-butan-2-ylindol-3-yl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(1-butan-2-ylindol-3-yl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethylphenyl)-5-[(1-sec-butylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1-butan-2-yl-3-indolyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1-butan-2-ylindol-3-yl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-ethylphenyl)-5-[(1-sec-butylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)C(C)CC)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)C(C)CC)C(=O)NC2=S

InChI

InChI=1S/C25H25N3O2S/c1-4-16(3)27-15-18(20-8-6-7-9-22(20)27)14-21-23(29)26-25(31)28(24(21)30)19-12-10-17(5-2)11-13-19/h6-16H,4-5H2,1-3H3,(H,26,29,31)