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

Systemtic Name: [4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl] benzoate Openeye Name: [4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenyl] benzoate CAS Name: benzoic acid [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] ester IUPAC Name: [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenyl] ester Formula: C18H12N2O4S MolecularWeight: 352.36388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C18H12N2O4S/c21-15-14(16(22)20-18(25)19-15)10-11-6-8-13(9-7-11)24-17(23)12-4-2-1-3-5-12/h1-10H,(H2,19,20,21,22,25)