5-[[1-[2-(4-bromanylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[1-[2-(4-bromanylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-[2-(4-bromophenoxy)ethyl]-3-indolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H16BrN3O3S MolecularWeight: 470.33904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCOC3=CC=C(C=C3)Br)C=C4C(=O)NC(=S)NC4=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCOC3=CC=C(C=C3)Br)C=C4C(=O)NC(=S)NC4=O

InChI

InChI=1S/C21H16BrN3O3S/c22-14-5-7-15(8-6-14)28-10-9-25-12-13(16-3-1-2-4-18(16)25)11-17-19(26)23-21(29)24-20(17)27/h1-8,11-12H,9-10H2,(H2,23,24,26,27,29)