5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2-(1H-indol-3-yl)ethylamino]methylene]-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[2-(1H-indol-3-yl)ethylamino]methylene]-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CNCCC3=CNC4=CC=CC=C43)C(=O)NC2=S

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CNCCC3=CNC4=CC=CC=C43)C(=O)NC2=S

InChI

InChI=1S/C22H20N4O2S/c1-14-6-2-5-9-19(14)26-21(28)17(20(27)25-22(26)29)13-23-11-10-15-12-24-18-8-4-3-7-16(15)18/h2-9,12-13,23-24H,10-11H2,1H3,(H,25,27,29)