2-[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-bromanyl-6-methoxy-phenoxy]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-bromanyl-6-methoxy-phenoxy]-N-phenyl-ethanamide Openeye Name: 2-[2-bromo-4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-methoxy-phenoxy]-N-phenyl-acetamide CAS Name: 2-[2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide IUPAC Name: 2-[2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenoxy]-N-phenylacetamide Traditional Name: 2-[2-bromo-4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-methoxy-phenoxy]-N-phenyl-acetamide Formula: C20H16BrN3O5S MolecularWeight: 490.32714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Br)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Br)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H16BrN3O5S/c1-28-15-9-11(7-13-18(26)23-20(30)24-19(13)27)8-14(21)17(15)29-10-16(25)22-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,22,25)(H2,23,24,26,27,30)