1-(4-bromophenyl)-5-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-bromophenyl)-5-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-bromophenyl)-5-[[4-(furan-2-carbonyl)piperazin-1-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-bromophenyl)-5-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-bromophenyl)-5-[[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-bromophenyl)-5-[[4-(2-furoyl)piperazino]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H17BrN4O4S MolecularWeight: 489.34238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H17BrN4O4S/c21-13-3-5-14(6-4-13)25-18(27)15(17(26)22-20(25)30)12-23-7-9-24(10-8-23)19(28)16-2-1-11-29-16/h1-6,11-12H,7-10H2,(H,22,26,30)