5-[(3-bromanyl-4-butan-2-yloxy-phenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3-bromanyl-4-butan-2-yloxy-phenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-bromo-4-sec-butoxy-phenyl)methylene]-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-bromo-4-butan-2-yloxyphenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-bromo-4-butan-2-yloxyphenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-bromo-4-sec-butoxy-benzylidene)-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H23BrN2O3S MolecularWeight: 487.40932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC(C)CC)Br)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC(C)CC)Br)C(=O)NC2=S

InChI

InChI=1S/C23H23BrN2O3S/c1-4-14(3)29-20-11-8-16(13-19(20)24)12-18-21(27)25-23(30)26(22(18)28)17-9-6-15(5-2)7-10-17/h6-14H,4-5H2,1-3H3,(H,25,27,30)