(5Z)-1-(4-bromanyl-2-methyl-phenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5Z)-1-(4-bromanyl-2-methyl-phenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-(4-bromo-2-methyl-phenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-(4-bromo-2-methylphenyl)-5-[[4-(1-pyrrolidinyl)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-(4-bromo-2-methylphenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-(4-bromo-2-methyl-phenyl)-5-(4-pyrrolidinobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H20BrN3O2S MolecularWeight: 470.3821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC=C(C=C3)N4CCCC4)C(=O)NC2=S

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)/C(=C\C3=CC=C(C=C3)N4CCCC4)/C(=O)NC2=S

InChI

InChI=1S/C22H20BrN3O2S/c1-14-12-16(23)6-9-19(14)26-21(28)18(20(27)24-22(26)29)13-15-4-7-17(8-5-15)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11H2,1H3,(H,24,27,29)/b18-13-