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

Systemtic Name: (5E)-1-ethyl-5-[[1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-ethyl-5-[[1-(2-oxo-2-pyrrolidin-1-yl-ethyl)indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-ethyl-5-[[1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-indolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-ethyl-5-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-ethyl-5-[[1-(2-keto-2-pyrrolidino-ethyl)indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)N4CCCC4)C(=O)NC1=S

Isomeric SMILES

CCN1C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)N4CCCC4)/C(=O)NC1=S

InChI

InChI=1S/C21H22N4O3S/c1-2-25-20(28)16(19(27)22-21(25)29)11-14-12-24(17-8-4-3-7-15(14)17)13-18(26)23-9-5-6-10-23/h3-4,7-8,11-12H,2,5-6,9-10,13H2,1H3,(H,22,27,29)/b16-11+