(5Z)-1-(4-bromanyl-2-methyl-phenyl)-5-[(3-ethoxy-4-oxidanyl-5-prop-2-enyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5Z)-1-(4-bromanyl-2-methyl-phenyl)-5-[(3-ethoxy-4-oxidanyl-5-prop-2-enyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-5-[(3-allyl-5-ethoxy-4-hydroxy-phenyl)methylene]-1-(4-bromo-2-methyl-phenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-(4-bromo-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-(4-bromo-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-5-(3-allyl-5-ethoxy-4-hydroxy-benzylidene)-1-(4-bromo-2-methyl-phenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H21BrN2O4S MolecularWeight: 501.39284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)CC=C)C=C2C(=O)NC(=S)N(C2=O)C3=C(C=C(C=C3)Br)C

Isomeric SMILES

CCOC1=CC(=CC(=C1O)CC=C)/C=C\2/C(=O)NC(=S)N(C2=O)C3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C23H21BrN2O4S/c1-4-6-15-10-14(12-19(20(15)27)30-5-2)11-17-21(28)25-23(31)26(22(17)29)18-8-7-16(24)9-13(18)3/h4,7-12,27H,1,5-6H2,2-3H3,(H,25,28,31)/b17-11-