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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(5-benzyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C20H16N4O3S2 MolecularWeight: 424.49604

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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)