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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[1-(4-methoxyphenyl)-6-oxidanyl-4-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[5-benzyl-6-hydroxy-1-(4-methoxyphenyl)-4-oxo-pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[6-hydroxy-1-(4-methoxyphenyl)-4-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[5-benzyl-6-hydroxy-1-(4-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[5-benzyl-6-hydroxy-4-keto-1-(4-methoxyphenyl)pyrimidin-2-yl]thio]acetamide Formula: C27H22N4O4S2 MolecularWeight: 530.61798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CC5=CC=CC=C5)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CC5=CC=CC=C5)O

InChI

InChI=1S/C27H22N4O4S2/c1-35-19-13-11-18(12-14-19)31-25(34)20(15-17-7-3-2-4-8-17)24(33)30-27(31)36-16-23(32)29-26-28-21-9-5-6-10-22(21)37-26/h2-14,34H,15-16H2,1H3,(H,28,29,32)