1-(3-chlorophenyl)-5-[(1-propylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3-chlorophenyl)-5-[(1-propylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-chlorophenyl)-5-[(1-propylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-chlorophenyl)-5-[(1-propyl-3-indolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-chlorophenyl)-5-[(1-propylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-chlorophenyl)-5-[(1-propylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H18ClN3O2S MolecularWeight: 423.91522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H18ClN3O2S/c1-2-10-25-13-14(17-8-3-4-9-19(17)25)11-18-20(27)24-22(29)26(21(18)28)16-7-5-6-15(23)12-16/h3-9,11-13H,2,10H2,1H3,(H,24,27,29)