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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate Openeye Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-5-benzyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-6-oxo-5-(phenylmethyl)-1H-pyrimidin-4-olate IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-5-benzyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-5-benzyl-6-keto-1H-pyrimidin-4-olate Formula: C20H15N4O3S2- MolecularWeight: 423.4881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=NC4=CC=CC=C4S3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=NC4=CC=CC=C4S3)[O-]

InChI

InChI=1S/C20H16N4O3S2/c25-16(22-20-21-14-8-4-5-9-15(14)29-20)11-28-19-23-17(26)13(18(27)24-19)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,22,25)(H2,23,24,26,27)/p-1