3-[5-(anthracen-9-ylmethylidene)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[5-(anthracen-9-ylmethylidene)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-(9-anthrylmethylene)-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-(9-anthracenylmethylidene)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-(anthracen-9-ylmethylidene)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-(9-anthrylmethylene)-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C26H16N2O4S MolecularWeight: 452.48124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=C4C(=O)NC(=S)N(C4=O)C5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=C4C(=O)NC(=S)N(C4=O)C5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C26H16N2O4S/c29-23-22(24(30)28(26(33)27-23)18-9-5-8-17(13-18)25(31)32)14-21-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)21/h1-14H,(H,31,32)(H,27,29,33)