2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-3-(4-methylphenyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-3-(4-methylphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-5-ethyl-6-oxo-3-(p-tolyl)pyrimidin-4-olate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-5-ethyl-3-(4-methylphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-5-ethyl-3-(4-methylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-5-ethyl-6-keto-3-(p-tolyl)pyrimidin-4-olate Formula: C22H19N4O3S2- MolecularWeight: 451.54126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)C)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)C)[O-]

InChI

InChI=1S/C22H20N4O3S2/c1-3-15-19(28)25-22(26(20(15)29)14-10-8-13(2)9-11-14)30-12-18(27)24-21-23-16-6-4-5-7-17(16)31-21/h4-11,29H,3,12H2,1-2H3,(H,23,24,27)/p-1