3-[5-[(3-methyl-4-morpholin-4-yl-phenyl)methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[5-[(3-methyl-4-morpholin-4-yl-phenyl)methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[(3-methyl-4-morpholino-phenyl)methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[3-methyl-4-(4-morpholinyl)phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[4,6-diketo-5-(3-methyl-4-morpholino-benzylidene)-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)N4CCOCC4

Isomeric SMILES

CC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)N4CCOCC4

InChI

InChI=1S/C23H21N3O5S/c1-14-11-15(5-6-19(14)25-7-9-31-10-8-25)12-18-20(27)24-23(32)26(21(18)28)17-4-2-3-16(13-17)22(29)30/h2-6,11-13H,7-10H2,1H3,(H,29,30)(H,24,27,32)