(5Z)-1-(4-bromophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5Z)-1-(4-bromophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-(4-bromophenyl)-5-[[5-(1-piperidyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-(4-bromophenyl)-5-[[5-(1-piperidinyl)-2-furanyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-(4-bromophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-(4-bromophenyl)-5-[(5-piperidino-2-furyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H18BrN3O3S MolecularWeight: 460.34422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(CC1)C2=CC=C(O2)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H18BrN3O3S/c21-13-4-6-14(7-5-13)24-19(26)16(18(25)22-20(24)28)12-15-8-9-17(27-15)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11H2,(H,22,25,28)/b16-12-