2-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C23H21N4O2S2- MolecularWeight: 449.56844

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)[O-]

InChI

InChI=1S/C23H22N4O2S2/c1-3-4-17-12-20(28)27-23(25-17)30-13-21(29)24-16-8-6-15(7-9-16)22-26-18-10-5-14(2)11-19(18)31-22/h5-12H,3-4,13H2,1-2H3,(H,24,29)(H,25,27,28)/p-1