4-[[1-(3-methoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate

Systemtic Name: 4-[[1-(3-methoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: 4-[[1-(3-methoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methylamino]benzoate CAS Name: 4-[[1-(3-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate IUPAC Name: 4-[[1-(3-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate Traditional Name: 4-[[4,6-diketo-1-(3-methoxyphenyl)-2-thioxo-hexahydropyrimidin-5-ylidene]methylamino]benzoate Formula: C19H14N3O5S- MolecularWeight: 396.39656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C(=CNC3=CC=C(C=C3)C(=O)[O-])C(=O)NC2=S

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C(=CNC3=CC=C(C=C3)C(=O)[O-])C(=O)NC2=S

InChI

InChI=1S/C19H15N3O5S/c1-27-14-4-2-3-13(9-14)22-17(24)15(16(23)21-19(22)28)10-20-12-7-5-11(6-8-12)18(25)26/h2-10,20H,1H3,(H,25,26)(H,21,23,28)/p-1