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

Systemtic Name: (5Z)-1-(4-bromanyl-2-methyl-phenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-(4-bromo-2-methyl-phenyl)-5-[[5-(1-piperidyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-(4-bromo-2-methylphenyl)-5-[[5-(1-piperidinyl)-2-furanyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-(4-bromo-2-methylphenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-(4-bromo-2-methyl-phenyl)-5-[(5-piperidino-2-furyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC=C(O3)N4CCCCC4)C(=O)NC2=S

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)/C(=C\C3=CC=C(O3)N4CCCCC4)/C(=O)NC2=S

InChI

InChI=1S/C21H20BrN3O3S/c1-13-11-14(22)5-7-17(13)25-20(27)16(19(26)23-21(25)29)12-15-6-8-18(28-15)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H,23,26,29)/b16-12-