N-(1,3-benzothiazol-2-yl)-2-[[5-[(4-methoxyphenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[[5-[(4-methoxyphenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[[4-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[4-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[[4-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(4-hydroxy-6-keto-5-p-anisyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=NC4=CC=CC=C4S3)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C21H18N4O4S2/c1-29-13-8-6-12(7-9-13)10-14-18(27)24-20(25-19(14)28)30-11-17(26)23-21-22-15-4-2-3-5-16(15)31-21/h2-9H,10-11H2,1H3,(H,22,23,26)(H2,24,25,27,28)