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

Systemtic Name: 3-[4,6-bis(oxidanylidene)-5-(phenylmethylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-(5-benzylidene-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl)benzoic acid CAS Name: 3-[4,6-dioxo-5-(phenylmethylene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-(5-benzylidene-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl)benzoic acid Traditional Name: 3-(5-benzal-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl)benzoic acid Formula: C18H12N2O4S MolecularWeight: 352.36388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O4S/c21-15-14(9-11-5-2-1-3-6-11)16(22)20(18(25)19-15)13-8-4-7-12(10-13)17(23)24/h1-10H,(H,23,24)(H,19,21,25)