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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[5-cyano-4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]thio]acetamide Formula: C21H15N5O3S2 MolecularWeight: 449.5055

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=NC4=CC=CC=C4S3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=NC4=CC=CC=C4S3)C#N

InChI

InChI=1S/C21H15N5O3S2/c1-29-13-8-6-12(7-9-13)18-14(10-22)19(28)26-20(25-18)30-11-17(27)24-21-23-15-4-2-3-5-16(15)31-21/h2-9H,11H2,1H3,(H,23,24,27)(H,25,26,28)