4-[[(5S)-4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]benzoate

Systemtic Name: 4-[[(5S)-4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]benzoate Openeye Name: 4-[[(5S)-4,6-dioxo-1-phenyl-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]benzoate CAS Name: 4-[[(5S)-4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]benzoate IUPAC Name: 4-[[(5S)-4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]benzoate Traditional Name: 4-[[(5S)-4,6-diketo-1-phenyl-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]benzoate Formula: C18H12N3O4S- MolecularWeight: 366.37058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=S)C=NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)[C@H](C(=O)NC2=S)C=NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H13N3O4S/c22-15-14(10-19-12-8-6-11(7-9-12)17(24)25)16(23)21(18(26)20-15)13-4-2-1-3-5-13/h1-10,14H,(H,24,25)(H,20,22,26)/p-1/t14-/m0/s1