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

Systemtic Name: 3-[5-cinnamylidene-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-(5-cinnamylidene-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl)benzoic acid CAS Name: 3-(5-cinnamylidene-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl)benzoic acid IUPAC Name: 3-(5-cinnamylidene-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl)benzoic acid Traditional Name: 3-(5-cinnamylidene-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl)benzoic acid Formula: C20H14N2O4S MolecularWeight: 378.40116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N2O4S/c23-17-16(11-4-8-13-6-2-1-3-7-13)18(24)22(20(27)21-17)15-10-5-9-14(12-15)19(25)26/h1-12H,(H,25,26)(H,21,23,27)