[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-bromanyl-6-methoxy-phenyl] benzoate

Systemtic Name: [4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-bromanyl-6-methoxy-phenyl] benzoate Openeye Name: [2-bromo-4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-methoxy-phenyl] benzoate CAS Name: benzoic acid [2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl] benzoate Traditional Name: benzoic acid [2-bromo-4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-methoxy-phenyl] ester Formula: C19H13BrN2O5S MolecularWeight: 461.28592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Br)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Br)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H13BrN2O5S/c1-26-14-9-10(7-12-16(23)21-19(28)22-17(12)24)8-13(20)15(14)27-18(25)11-5-3-2-4-6-11/h2-9H,1H3,(H2,21,22,23,24,28)