1-(4-ethoxyphenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-ethoxyphenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethoxyphenyl)-5-[[1-(1H-indol-3-ylmethyl)propylamino]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethoxyphenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethoxyphenyl)-5-[[1-(1H-indol-3-yl)butan-2-ylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(1H-indol-3-ylmethyl)propylamino]methylene]-1-p-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H26N4O3S MolecularWeight: 462.56394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CNC2=CC=CC=C21)NC=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCC(CC1=CNC2=CC=CC=C21)NC=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C25H26N4O3S/c1-3-17(13-16-14-27-22-8-6-5-7-20(16)22)26-15-21-23(30)28-25(33)29(24(21)31)18-9-11-19(12-10-18)32-4-2/h5-12,14-15,17,26-27H,3-4,13H2,1-2H3,(H,28,30,33)