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

Systemtic Name: (5E)-5-[[5-bromanyl-1-(phenylmethyl)indol-3-yl]methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[(1-benzyl-5-bromo-indol-3-yl)methylene]-1-ethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[[5-bromo-1-(phenylmethyl)-3-indolyl]methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(1-benzyl-5-bromoindol-3-yl)methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-[(1-benzyl-5-bromo-indol-3-yl)methylene]-1-ethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CN(C3=C2C=C(C=C3)Br)CC4=CC=CC=C4)C(=O)NC1=S

Isomeric SMILES

CCN1C(=O)/C(=C/C2=CN(C3=C2C=C(C=C3)Br)CC4=CC=CC=C4)/C(=O)NC1=S

InChI

InChI=1S/C22H18BrN3O2S/c1-2-26-21(28)18(20(27)24-22(26)29)10-15-13-25(12-14-6-4-3-5-7-14)19-9-8-16(23)11-17(15)19/h3-11,13H,2,12H2,1H3,(H,24,27,29)/b18-10+